#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du0 n PHE 2 N 0.00 3.33 -4.33 1.12 3.72 -1.26 -4.88 117.46 115.15 3du0 n PHE 2 Ca 0.00 -3.31 -0.17 0.00 -0.05 0.00 0.00 57.45 53.92 3du0 n PHE 2 Cb 0.00 -0.85 -0.10 0.00 -0.94 0.00 0.00 39.48 37.59 3du0 n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3du0 s THR 3 N -4.03 0.55 0.00 4.37 -4.23 -1.26 -4.82 115.64 106.23 3du0 s THR 3 Ca 0.42 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3du0 s THR 3 Cb 0.21 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3du0 s THR 3 CO -0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3du0 n GLY 4 N -0.51 -0.74 3.52 3.99 0.00 -0.73 -4.70 105.19 106.02 3du0 n GLY 4 Ca -0.00 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 3du0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3du0 s SER 5 N -4.00 6.32 -0.19 1.61 0.15 -1.26 -1.41 113.70 114.92 3du0 s SER 5 Ca 0.00 -0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 3du0 s SER 5 Cb 0.00 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3du0 s SER 5 CO 0.00 -0.76 -0.08 -0.63 1.20 0.00 0.00 173.24 172.97 3du0 s ILE 6 N 2.78 3.15 -0.03 6.45 1.01 -0.31 -0.45 121.20 133.80 3du0 s ILE 6 Ca 0.22 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 3du0 s ILE 6 Cb -0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3du0 s ILE 6 CO 0.19 0.47 0.70 0.54 0.00 0.00 0.00 174.94 176.83 3du0 s VAL 7 N 1.13 4.95 -0.90 2.92 0.11 -0.77 0.60 120.40 128.44 3du0 s VAL 7 Ca 0.01 1.46 -0.21 0.00 -2.93 0.00 0.00 61.98 60.31 3du0 s VAL 7 Cb -0.14 -4.04 0.09 0.00 -1.53 0.00 0.00 36.38 30.76 3du0 s VAL 7 CO -0.02 0.30 1.19 0.00 -3.33 0.00 0.00 175.10 173.24 3du0 s ALA 8 N 0.44 3.12 0.17 1.54 0.00 -0.14 0.07 121.76 126.97 3du0 s ALA 8 Ca 0.37 -2.40 -0.29 0.00 0.00 0.00 0.00 51.96 49.63 3du0 s ALA 8 Cb -0.18 -4.15 -0.07 0.00 0.00 0.00 0.00 23.12 18.71 3du0 s ALA 8 CO 0.19 -3.13 0.92 -1.50 0.00 0.00 0.00 175.76 172.25 3du0 s ILE 9 N 3.68 4.30 0.71 0.00 2.07 -1.01 -4.67 121.20 126.27 3du0 s ILE 9 Ca 0.34 2.02 -0.16 0.00 -1.41 0.00 0.00 60.65 61.45 3du0 s ILE 9 Cb -0.06 -4.30 0.02 0.00 0.13 0.00 0.00 42.46 38.26 3du0 s ILE 9 CO -0.05 0.42 1.27 0.68 -1.91 0.00 0.00 174.94 175.35 3du0 s VAL 10 N -0.67 2.01 -0.59 4.00 -7.23 -1.26 -3.30 120.40 113.36 3du0 s VAL 10 Ca 0.43 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.42 3du0 s VAL 10 Cb -0.24 -2.79 0.11 0.00 0.56 0.00 0.00 36.38 34.02 3du0 s VAL 10 CO 0.30 -0.00 0.67 -0.89 -0.31 0.00 0.00 175.10 174.87 3du0 s THR 11 N -1.64 4.94 0.29 5.32 2.01 -1.26 -4.88 115.64 120.41 3du0 s THR 11 Ca 0.80 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3du0 s THR 11 Cb -0.35 -4.46 -0.10 0.00 0.01 0.00 0.00 72.50 67.60 3du0 s THR 11 CO 0.44 -1.07 1.23 -2.84 -0.69 0.00 0.00 174.62 171.69 3du0 s PRO 12 N 2.34 4.46 0.14 4.92 0.02 -1.26 -4.92 135.00 140.69 3du0 s PRO 12 Ca 0.10 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.26 3du0 s PRO 12 Cb -0.25 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3du0 s PRO 12 CO 0.05 -0.06 -0.22 -1.64 -0.33 0.00 0.00 177.00 174.80 3du0 s MET 13 N -1.37 1.27 1.07 5.54 -1.94 -1.26 -0.72 119.30 121.89 3du0 s MET 13 Ca 0.49 -1.31 -0.18 0.00 -1.71 0.00 0.00 55.69 52.98 3du0 s MET 13 Cb -0.36 -1.54 0.25 0.00 2.01 0.00 0.00 34.83 35.19 3du0 s MET 13 CO 0.46 0.35 1.26 -0.40 -0.01 0.00 0.00 175.02 176.68 3du0 n ASP 14 N 0.75 -0.65 0.04 3.03 5.68 -0.11 -4.29 116.55 121.01 3du0 n ASP 14 Ca -0.17 -1.38 0.21 0.00 -0.50 0.00 0.00 54.79 52.95 3du0 n ASP 14 Cb 0.55 -1.02 0.73 0.00 -1.14 0.00 0.00 41.12 40.24 3du0 n ASP 14 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3du0 h GLU 15 N 0.00 0.00 -0.00 0.11 3.07 -1.97 -1.93 114.58 113.87 3du0 h GLU 15 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 3du0 h GLU 15 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3du0 h GLU 15 CO 0.29 0.00 -0.11 1.63 -1.40 0.00 0.00 179.01 179.42 3du0 n LYS 16 N -4.01 0.72 -0.80 2.33 5.02 -1.26 -4.93 118.16 115.23 3du0 n LYS 16 Ca 0.09 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3du0 n LYS 16 Cb 0.62 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3du0 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3du0 n GLY 17 N 1.28 0.51 3.62 0.72 0.00 -0.72 -5.08 105.19 105.52 3du0 n GLY 17 Ca 0.14 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3du0 n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3du0 s ASN 18 N -2.76 4.66 0.16 1.61 0.01 -1.26 -4.87 114.94 112.48 3du0 s ASN 18 Ca 0.00 -0.30 -0.34 0.00 -0.71 0.00 0.00 52.86 51.52 3du0 s ASN 18 Cb 0.00 -0.99 -0.15 0.00 0.41 0.00 0.00 41.25 40.52 3du0 s ASN 18 CO 0.00 0.18 1.37 0.55 -1.51 0.00 0.00 177.10 177.69 3du0 n VAL 19 N 0.66 0.45 -3.48 1.60 3.14 -1.26 -0.93 118.33 118.52 3du0 n VAL 19 Ca -0.12 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 60.72 3du0 n VAL 19 Cb 0.52 -1.17 -0.10 0.00 -1.06 0.00 0.00 33.84 32.03 3du0 n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3du0 h ARG 21 N 8.61 0.92 -0.95 0.00 2.43 -1.91 -1.76 114.38 121.72 3du0 h ARG 21 Ca -0.27 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 58.58 3du0 h ARG 21 Cb 1.11 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3du0 h ARG 21 CO 0.75 1.00 0.62 0.00 -1.51 0.00 0.00 179.97 180.83 3du0 h ALA 22 N 1.02 1.21 -0.05 2.80 0.00 -1.99 0.19 119.26 122.44 3du0 h ALA 22 Ca 0.13 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3du0 h ALA 22 Cb 0.68 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3du0 h ALA 22 CO 0.05 0.57 -0.77 0.77 0.00 0.00 0.00 179.25 179.87 3du0 h SER 23 N 1.26 0.41 -0.00 0.00 0.02 -1.82 -2.40 113.55 111.03 3du0 h SER 23 Ca 0.35 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3du0 h SER 23 Cb -0.12 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3du0 h SER 23 CO -0.09 1.04 0.00 0.25 -1.14 0.00 0.00 176.83 176.89 3du0 h LEU 24 N 0.22 0.00 -0.69 5.07 5.85 -1.03 -1.11 115.31 123.63 3du0 h LEU 24 Ca -0.04 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.56 3du0 h LEU 24 Cb 1.36 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.30 3du0 h LEU 24 CO 0.13 0.25 0.24 0.50 -0.34 0.00 0.00 178.44 179.21 3du0 h LYS 25 N -0.24 0.37 -0.34 1.25 3.64 -0.97 0.75 116.57 121.03 3du0 h LYS 25 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3du0 h LYS 25 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3du0 h LYS 25 CO 0.00 0.25 0.15 -0.22 -2.27 0.00 0.00 179.45 177.35 3du0 h LYS 26 N 0.38 0.49 -0.14 1.90 3.64 -1.30 -0.46 116.57 121.08 3du0 h LYS 26 Ca 0.37 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3du0 h LYS 26 Cb 0.54 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3du0 h LYS 26 CO -0.39 0.47 0.08 -0.07 -2.27 0.00 0.00 179.45 177.27 3du0 h LEU 27 N 0.40 0.18 -0.94 5.20 3.38 -0.60 -1.28 115.31 121.66 3du0 h LEU 27 Ca 0.11 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3du0 h LEU 27 Cb 0.15 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3du0 h LEU 27 CO -0.01 0.21 0.60 0.40 0.09 0.00 0.00 178.44 179.73 3du0 h ILE 28 N 0.14 1.11 -0.42 1.22 2.04 -0.75 -1.76 117.51 119.08 3du0 h ILE 28 Ca 0.05 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3du0 h ILE 28 Cb 0.07 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 3du0 h ILE 28 CO -0.01 0.21 0.14 0.44 0.00 0.00 0.00 178.15 178.93 3du0 h ASP 29 N 1.12 0.61 -1.00 1.72 3.32 -0.95 -0.85 116.42 120.39 3du0 h ASP 29 Ca 0.39 -0.20 0.14 0.00 0.02 0.00 0.00 57.03 57.39 3du0 h ASP 29 Cb 0.09 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.40 3du0 h ASP 29 CO -0.15 0.64 0.62 0.22 -1.72 0.00 0.00 179.24 178.86 3du0 h TYR 30 N 0.54 1.10 0.04 4.55 3.20 -0.92 0.70 116.97 126.19 3du0 h TYR 30 Ca 0.14 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.80 3du0 h TYR 30 Cb 0.24 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3du0 h TYR 30 CO 0.01 0.38 -1.03 0.45 -1.64 0.00 0.00 178.16 176.33 3du0 h HIS 31 N 0.91 0.51 -0.33 -3.82 3.86 -0.93 -0.54 115.15 114.81 3du0 h HIS 31 Ca 0.52 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3du0 h HIS 31 Cb 0.63 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3du0 h HIS 31 CO -0.00 1.16 0.16 0.28 0.86 0.00 0.00 177.93 180.39 3du0 h VAL 32 N 0.15 1.16 -0.10 2.45 2.07 -0.78 -2.64 116.25 118.57 3du0 h VAL 32 Ca -0.09 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3du0 h VAL 32 Cb 1.70 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 3du0 h VAL 32 CO 0.17 0.17 -0.16 0.00 0.02 0.00 0.00 177.57 177.77 3du0 h ALA 33 N 1.02 1.54 0.00 1.67 0.00 -0.81 -3.25 119.26 119.42 3du0 h ALA 33 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3du0 h ALA 33 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3du0 h ALA 33 CO -0.01 0.33 -0.87 0.43 0.00 0.00 0.00 179.25 179.12 3du0 n SER 34 N -4.27 0.69 0.00 0.00 7.64 -0.22 -4.94 113.62 112.51 3du0 n SER 34 Ca -0.01 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3du0 n SER 34 Cb 0.27 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 3du0 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3du0 n GLY 35 N 1.31 0.87 3.69 0.23 0.00 -1.02 -4.30 105.19 105.96 3du0 n GLY 35 Ca 0.02 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3du0 n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3du0 n THR 36 N -2.26 0.96 -0.02 2.61 -1.04 -1.04 -4.87 114.28 108.63 3du0 n THR 36 Ca 0.00 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.05 61.60 3du0 n THR 36 Cb 0.00 -1.58 -0.09 0.00 -1.82 0.00 0.00 70.33 66.83 3du0 n THR 36 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3du0 h SER 37 N 4.35 0.59 -5.04 8.00 0.02 -1.06 -3.46 113.55 116.95 3du0 h SER 37 Ca -0.45 -0.68 0.01 0.00 -0.84 0.00 0.00 61.79 59.82 3du0 h SER 37 Cb 1.26 -0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.54 3du0 h SER 37 CO 0.77 1.18 0.14 0.00 -1.14 0.00 0.00 176.83 177.78 3du0 s ALA 38 N -3.52 -1.20 -0.11 3.77 0.00 -1.25 -4.29 121.76 115.15 3du0 s ALA 38 Ca -0.13 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3du0 s ALA 38 Cb 0.05 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 3du0 s ALA 38 CO 0.83 -0.87 -0.13 0.42 0.00 0.00 0.00 175.76 176.01 3du0 s ILE 39 N -3.86 3.07 -0.32 0.00 1.01 -0.22 -1.85 121.20 119.04 3du0 s ILE 39 Ca 0.08 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3du0 s ILE 39 Cb -0.03 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3du0 s ILE 39 CO -0.02 0.54 0.39 -0.69 0.00 0.00 0.00 174.94 175.15 3du0 s VAL 40 N 0.10 5.15 -0.22 2.92 1.01 0.11 0.98 120.40 130.45 3du0 s VAL 40 Ca -0.06 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 3du0 s VAL 40 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3du0 s VAL 40 CO 0.05 -0.02 0.20 -0.55 0.00 0.00 0.00 175.10 174.77 3du0 s SER 41 N 1.71 6.20 -1.23 3.32 0.15 0.33 -2.40 113.70 121.77 3du0 s SER 41 Ca 0.14 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.96 3du0 s SER 41 Cb -0.16 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.01 3du0 s SER 41 CO 0.11 0.07 0.76 0.52 1.20 0.00 0.00 173.24 175.90 3du0 n VAL 42 N 4.09 -5.48 -0.15 4.45 0.31 -1.26 -0.46 118.33 119.83 3du0 n VAL 42 Ca -0.14 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.48 3du0 n VAL 42 Cb 0.52 -4.33 0.00 0.00 -0.91 0.00 0.00 33.84 29.11 3du0 n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3du0 n GLY 43 N -1.52 -0.22 0.09 2.92 0.00 -1.26 -3.92 105.19 101.28 3du0 n GLY 43 Ca -0.23 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 3du0 n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3du0 h THR 44 N 0.00 0.90 0.00 2.61 2.02 -1.96 -2.42 112.91 114.06 3du0 h THR 44 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3du0 h THR 44 Cb 0.00 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3du0 h THR 44 CO 0.00 0.01 -0.11 0.74 0.37 0.00 0.00 175.52 176.53 3du0 h THR 45 N 0.04 0.38 -0.37 3.16 2.02 -1.87 -1.63 112.91 114.64 3du0 h THR 45 Ca 0.07 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3du0 h THR 45 Cb 0.08 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3du0 h THR 45 CO -0.12 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.49 3du0 n GLY 46 N -0.34 1.30 3.36 2.16 0.00 -0.94 -4.29 105.19 106.43 3du0 n GLY 46 Ca -0.01 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 3du0 n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3du0 n GLU 47 N 0.56 -7.00 -0.19 1.61 1.02 -0.61 -4.20 120.64 111.83 3du0 n GLU 47 Ca 0.14 0.76 0.23 0.00 -0.02 0.00 0.00 57.16 58.26 3du0 n GLU 47 Cb 0.46 -5.57 0.62 0.00 -0.02 0.00 0.00 31.44 26.93 3du0 n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3du0 h SER 48 N -2.31 0.20 0.26 1.62 4.64 -1.65 -2.06 113.55 114.26 3du0 h SER 48 Ca -0.52 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 3du0 h SER 48 Cb 1.33 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3du0 h SER 48 CO 0.50 0.08 -0.33 0.00 -0.87 0.00 0.00 176.83 176.20 3du0 h ALA 49 N 1.60 1.33 -0.17 5.18 0.00 -1.87 -3.15 119.26 122.18 3du0 h ALA 49 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3du0 h ALA 49 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3du0 h ALA 49 CO -0.09 0.48 0.00 0.25 0.00 0.00 0.00 179.25 179.89 3du0 n THR 50 N -4.11 0.42 -3.89 0.00 -2.24 -0.79 -4.93 114.28 98.74 3du0 n THR 50 Ca -0.02 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.70 3du0 n THR 50 Cb 0.40 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 3du0 n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3du0 s LEU 51 N -1.02 4.18 0.94 3.22 1.43 -1.11 -5.05 118.68 121.27 3du0 s LEU 51 Ca 0.19 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 3du0 s LEU 51 Cb 0.12 -2.04 0.15 0.00 0.03 0.00 0.00 46.19 44.45 3du0 s LEU 51 CO 0.16 0.29 1.12 0.54 0.23 0.00 0.00 176.35 178.70 3du0 s ASN 52 N -0.34 3.22 0.39 2.29 2.20 -1.26 -4.69 114.94 116.75 3du0 s ASN 52 Ca 0.11 1.05 0.13 0.00 -0.94 0.00 0.00 52.86 53.20 3du0 s ASN 52 Cb -0.12 -1.66 0.79 0.00 -2.00 0.00 0.00 41.25 38.26 3du0 s ASN 52 CO 0.01 -2.74 1.87 0.45 -2.94 0.00 0.00 177.10 173.75 3du0 h HIS 53 N -1.63 0.03 0.04 1.54 3.86 -1.98 0.32 115.15 117.34 3du0 h HIS 53 Ca -0.52 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.68 3du0 h HIS 53 Cb 1.33 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.79 3du0 h HIS 53 CO 0.30 0.33 -0.02 -0.44 0.86 0.00 0.00 177.93 178.96 3du0 h ASP 54 N 0.03 -0.05 -0.46 2.45 3.32 -1.99 -0.53 116.42 119.19 3du0 h ASP 54 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.71 3du0 h ASP 54 Cb 0.55 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3du0 h ASP 54 CO 0.04 0.35 0.26 -0.33 -1.72 0.00 0.00 179.24 177.84 3du0 h GLU 55 N -0.45 0.51 -0.12 3.56 5.08 -1.85 -0.80 114.58 120.50 3du0 h GLU 55 Ca -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3du0 h GLU 55 Cb 0.41 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 3du0 h GLU 55 CO 0.01 0.34 -0.41 1.25 -1.00 0.00 0.00 179.01 179.19 3du0 h HIS 56 N 0.52 -1.18 -0.78 4.33 2.76 -0.37 -1.98 115.15 118.45 3du0 h HIS 56 Ca 0.19 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 3du0 h HIS 56 Cb 0.04 0.54 -0.07 0.00 1.55 0.00 0.00 27.41 29.47 3du0 h HIS 56 CO -0.08 -0.47 0.45 0.00 -1.30 0.00 0.00 177.93 176.53 3du0 h ALA 57 N 0.13 1.08 -0.87 5.26 0.00 -0.92 -2.07 119.26 121.86 3du0 h ALA 57 Ca 0.07 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3du0 h ALA 57 Cb 0.62 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3du0 h ALA 57 CO -0.39 0.12 0.55 -0.44 0.00 0.00 0.00 179.25 179.09 3du0 h ASP 58 N 0.79 0.89 -0.43 0.00 5.19 -0.79 -0.13 116.42 121.94 3du0 h ASP 58 Ca 0.36 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.67 3du0 h ASP 58 Cb 0.27 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 3du0 h ASP 58 CO -0.21 0.58 -0.17 0.58 -3.12 0.00 0.00 179.24 176.90 3du0 h VAL 59 N 1.03 1.28 -0.01 -1.35 2.07 -0.94 -0.56 116.25 117.76 3du0 h VAL 59 Ca 0.37 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3du0 h VAL 59 Cb 0.12 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3du0 h VAL 59 CO -0.16 0.44 0.00 0.58 0.02 0.00 0.00 177.57 178.46 3du0 h VAL 60 N 0.71 1.16 -0.68 2.57 2.07 -0.92 0.62 116.25 121.77 3du0 h VAL 60 Ca 0.10 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3du0 h VAL 60 Cb 0.73 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3du0 h VAL 60 CO 0.06 0.12 0.38 0.24 0.02 0.00 0.00 177.57 178.39 3du0 h MET 61 N -0.18 0.95 -0.83 1.57 2.07 -1.00 0.43 114.93 117.94 3du0 h MET 61 Ca 0.00 -0.11 -0.03 0.00 -2.07 0.00 0.00 59.70 57.49 3du0 h MET 61 Cb 0.20 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.70 3du0 h MET 61 CO -0.00 0.71 0.39 1.98 1.07 0.00 0.00 176.91 181.06 3du0 h MET 62 N 0.94 1.20 -0.37 1.72 -1.53 -1.05 -0.94 114.93 114.90 3du0 h MET 62 Ca 0.24 -0.18 -0.04 0.00 -3.44 0.00 0.00 59.70 56.28 3du0 h MET 62 Cb 0.03 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 30.85 3du0 h MET 62 CO -0.04 0.93 0.06 1.15 0.14 0.00 0.00 176.91 179.15 3du0 h THR 63 N 1.19 1.24 0.21 -0.77 2.02 -0.28 -2.01 112.91 114.51 3du0 h THR 63 Ca 0.28 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3du0 h THR 63 Cb 0.13 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3du0 h THR 63 CO -0.03 0.29 -0.23 0.25 0.37 0.00 0.00 175.52 176.17 3du0 h LEU 64 N 0.46 -0.61 -0.30 2.58 5.85 -0.73 -0.72 115.31 121.83 3du0 h LEU 64 Ca 0.11 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3du0 h LEU 64 Cb 0.36 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 3du0 h LEU 64 CO 0.01 -0.33 -0.19 -0.78 -0.34 0.00 0.00 178.44 176.81 3du0 h ASP 65 N -0.48 -0.63 -0.19 1.25 3.58 -1.16 -2.07 116.42 116.73 3du0 h ASP 65 Ca 0.00 0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 3du0 h ASP 65 Cb 0.45 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 3du0 h ASP 65 CO -0.06 -0.22 -0.20 -0.07 -2.88 0.00 0.00 179.24 175.80 3du0 h LEU 66 N -0.16 0.63 -1.94 2.28 3.38 -1.24 -1.85 115.31 116.41 3du0 h LEU 66 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3du0 h LEU 66 Cb 0.40 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3du0 h LEU 66 CO -0.40 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.01 3du0 h ALA 67 N 1.22 1.96 -6.46 1.53 0.00 -0.73 -3.47 119.26 113.32 3du0 h ALA 67 Ca 0.09 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.49 3du0 h ALA 67 Cb 0.65 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3du0 h ALA 67 CO 0.05 0.04 -0.82 -3.47 0.00 0.00 0.00 179.25 175.05 3du0 n ASP 68 N -4.53 -2.91 0.00 0.00 2.03 -0.70 -0.31 116.55 110.13 3du0 n ASP 68 Ca -0.02 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.38 3du0 n ASP 68 Cb 0.09 -3.37 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 3du0 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3du0 n GLY 69 N -1.65 1.07 0.12 0.27 0.00 -1.26 -4.89 105.19 98.85 3du0 n GLY 69 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3du0 n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3du0 h ARG 70 N 2.01 0.00 -1.89 1.61 3.08 -1.04 -3.46 114.38 114.70 3du0 h ARG 70 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3du0 h ARG 70 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.83 3du0 h ARG 70 CO 0.00 0.00 0.13 -1.50 -1.07 0.00 0.00 179.97 177.53 3du0 s ILE 71 N -3.13 0.00 0.52 2.04 2.07 -1.26 -4.98 121.20 116.46 3du0 s ILE 71 Ca 0.09 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.13 3du0 s ILE 71 Cb 0.11 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.63 3du0 s ILE 71 CO 0.62 0.00 1.11 -2.84 -1.91 0.00 0.00 174.94 171.92 3du0 s PRO 72 N 1.30 3.53 -0.13 3.50 0.02 -1.26 -4.86 135.00 137.10 3du0 s PRO 72 Ca -0.07 1.56 0.02 0.00 0.02 0.00 0.00 61.00 62.53 3du0 s PRO 72 Cb -0.05 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.40 3du0 s PRO 72 CO -0.15 -0.69 -0.20 0.08 -0.33 0.00 0.00 177.00 175.71 3du0 s VAL 73 N -1.80 1.89 -0.21 3.83 1.01 -1.26 -1.06 120.40 122.80 3du0 s VAL 73 Ca 0.70 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3du0 s VAL 73 Cb -0.22 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3du0 s VAL 73 CO 0.26 0.52 0.08 -0.63 0.00 0.00 0.00 175.10 175.32 3du0 s ILE 74 N 0.85 4.74 -0.09 2.22 1.01 0.28 -1.31 121.20 128.89 3du0 s ILE 74 Ca -0.07 -0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 3du0 s ILE 74 Cb -0.15 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3du0 s ILE 74 CO -0.01 0.41 0.70 0.00 0.00 0.00 0.00 174.94 176.04 3du0 s ALA 75 N 0.83 3.38 0.20 9.38 0.00 -0.72 0.12 121.76 134.96 3du0 s ALA 75 Ca 0.04 0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 3du0 s ALA 75 Cb -0.13 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 3du0 s ALA 75 CO 0.02 -0.20 1.47 0.20 0.00 0.00 0.00 175.76 177.25 3du0 s GLY 76 N 0.87 2.03 -0.01 0.00 0.00 0.39 -0.44 107.32 110.17 3du0 s GLY 76 Ca 0.37 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.41 3du0 s GLY 76 CO 0.17 2.39 0.81 -1.30 0.00 0.00 0.00 173.10 175.18 3du0 n THR 77 N 3.10 0.27 -1.99 0.90 -2.24 -0.15 -4.86 114.28 109.30 3du0 n THR 77 Ca 0.10 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 3du0 n THR 77 Cb 0.40 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3du0 n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3du0 s GLY 78 N -0.78 2.93 -0.06 3.38 0.00 -1.24 -4.69 107.32 106.86 3du0 s GLY 78 Ca 0.03 1.29 -0.28 0.00 0.00 0.00 0.00 44.72 45.77 3du0 s GLY 78 CO 0.00 1.89 0.61 0.00 0.00 0.00 0.00 173.10 175.60 3du0 s ALA 79 N -1.24 -1.59 -2.21 3.20 0.00 -1.26 -4.90 121.76 113.77 3du0 s ALA 79 Ca 0.57 1.19 0.27 0.00 0.00 0.00 0.00 51.96 53.99 3du0 s ALA 79 Cb -0.40 -0.07 0.85 0.00 0.00 0.00 0.00 23.12 23.50 3du0 s ALA 79 CO 0.51 -0.35 1.63 0.27 0.00 0.00 0.00 175.76 177.82 3du0 n ASN 80 N 1.12 1.40 -4.43 0.00 6.94 -1.26 -4.43 115.26 114.60 3du0 n ASN 80 Ca -0.19 -1.28 -0.34 0.00 -0.02 0.00 0.00 54.58 52.75 3du0 n ASN 80 Cb 0.57 0.07 -0.13 0.00 -2.36 0.00 0.00 39.78 37.93 3du0 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3du0 s ALA 81 N -2.22 2.87 0.31 -2.53 0.00 -1.26 -4.81 121.76 114.12 3du0 s ALA 81 Ca 0.31 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3du0 s ALA 81 Cb 0.20 -1.50 0.52 0.00 0.00 0.00 0.00 23.12 22.35 3du0 s ALA 81 CO 0.42 0.10 1.95 1.15 0.00 0.00 0.00 175.76 179.37 3du0 h THR 82 N 5.32 1.13 -0.75 0.00 2.02 -1.95 -1.21 112.91 117.47 3du0 h THR 82 Ca -0.31 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3du0 h THR 82 Cb 1.19 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3du0 h THR 82 CO 0.60 0.19 0.37 0.00 0.37 0.00 0.00 175.52 177.05 3du0 h ALA 83 N 1.52 1.24 -0.05 6.16 0.00 -1.96 -1.45 119.26 124.70 3du0 h ALA 83 Ca 0.33 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 3du0 h ALA 83 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3du0 h ALA 83 CO -0.10 0.59 -0.77 0.93 0.00 0.00 0.00 179.25 179.90 3du0 h GLU 84 N 1.07 0.36 -0.58 0.00 4.39 -1.76 -2.17 114.58 115.89 3du0 h GLU 84 Ca 0.26 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3du0 h GLU 84 Cb 0.09 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3du0 h GLU 84 CO -0.04 0.97 0.33 0.00 -1.16 0.00 0.00 179.01 179.12 3du0 h ALA 85 N 0.93 0.73 -0.53 3.43 0.00 -0.93 -1.31 119.26 121.59 3du0 h ALA 85 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3du0 h ALA 85 Cb 1.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3du0 h ALA 85 CO 0.13 0.23 0.16 0.82 0.00 0.00 0.00 179.25 180.60 3du0 h ILE 86 N 0.78 1.23 -0.28 0.00 2.04 -1.26 -1.38 117.51 118.64 3du0 h ILE 86 Ca 0.20 -0.79 -0.19 0.00 1.00 0.00 0.00 64.86 65.09 3du0 h ILE 86 Cb 0.01 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3du0 h ILE 86 CO -0.04 0.29 -0.56 -1.28 0.00 0.00 0.00 178.15 176.57 3du0 h SER 87 N 0.73 0.97 -0.74 1.72 0.87 -1.24 0.54 113.55 116.40 3du0 h SER 87 Ca 0.17 -0.52 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 3du0 h SER 87 Cb 0.28 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3du0 h SER 87 CO -0.00 1.32 0.27 0.25 -0.53 0.00 0.00 176.83 178.13 3du0 h LEU 88 N 0.66 1.05 -0.86 2.23 5.85 -1.23 -2.96 115.31 120.05 3du0 h LEU 88 Ca 0.01 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 3du0 h LEU 88 Cb 1.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3du0 h LEU 88 CO 0.12 0.96 -0.06 0.74 -0.34 0.00 0.00 178.44 179.86 3du0 h THR 89 N 1.10 1.25 -0.04 1.05 2.02 -0.66 -2.65 112.91 114.98 3du0 h THR 89 Ca 0.25 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 3du0 h THR 89 Cb 0.26 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3du0 h THR 89 CO -0.01 0.38 -0.15 1.56 0.37 0.00 0.00 175.52 177.66 3du0 h GLN 90 N 0.72 0.06 -0.51 6.66 4.20 -0.75 -2.41 115.11 123.08 3du0 h GLN 90 Ca 0.13 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.92 3du0 h GLN 90 Cb 0.52 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3du0 h GLN 90 CO 0.03 0.21 0.35 0.00 -0.67 0.00 0.00 178.83 178.75 3du0 h ARG 91 N 0.05 0.28 -0.02 1.46 3.08 -1.32 -2.54 114.38 115.38 3du0 h ARG 91 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3du0 h ARG 91 Cb 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3du0 h ARG 91 CO 0.02 0.19 -0.27 1.19 -1.07 0.00 0.00 179.97 180.03 3du0 n PHE 92 N -4.46 0.00 -1.81 3.04 3.72 -0.91 -4.90 117.46 112.14 3du0 n PHE 92 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 3du0 n PHE 92 Cb 0.37 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 3du0 n PHE 92 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3du0 s ASN 93 N -2.24 6.42 -1.38 4.37 0.01 -0.96 -2.40 114.94 118.76 3du0 s ASN 93 Ca 0.22 2.87 -0.08 0.00 -0.71 0.00 0.00 52.86 55.16 3du0 s ASN 93 Cb 0.19 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.25 3du0 s ASN 93 CO 0.45 -0.90 1.04 0.47 -1.51 0.00 0.00 177.10 176.65 3du0 n ASP 94 N 2.76 -4.59 -0.00 -1.22 8.00 -1.26 -4.90 116.55 115.34 3du0 n ASP 94 Ca 0.10 -0.66 0.02 0.00 0.71 0.00 0.00 54.79 54.96 3du0 n ASP 94 Cb 0.37 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 36.86 3du0 n ASP 94 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3du0 n SER 95 N -2.99 3.96 0.00 -2.24 3.41 -1.01 -5.02 113.62 109.74 3du0 n SER 95 Ca -0.07 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3du0 n SER 95 Cb 0.58 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 3du0 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3du0 n GLY 96 N 2.24 0.31 3.76 5.00 0.00 -1.26 -5.06 105.19 110.17 3du0 n GLY 96 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3du0 n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3du0 s ILE 97 N -2.00 2.85 -0.49 -0.61 -4.36 -1.26 -4.75 121.20 110.58 3du0 s ILE 97 Ca 0.00 0.52 0.22 0.00 -0.26 0.00 0.00 60.65 61.13 3du0 s ILE 97 Cb 0.00 -3.19 -0.22 0.00 1.25 0.00 0.00 42.46 40.30 3du0 s ILE 97 CO 0.00 -0.12 0.79 1.33 0.24 0.00 0.00 174.94 177.18 3du0 n VAL 98 N -1.56 0.08 -3.96 8.37 0.24 -0.43 -5.00 118.33 116.08 3du0 n VAL 98 Ca 0.13 -0.28 0.01 0.00 -2.04 0.00 0.00 64.34 62.16 3du0 n VAL 98 Cb 0.50 0.33 0.01 0.00 -1.47 0.00 0.00 33.84 33.21 3du0 n VAL 98 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3du0 s GLY 99 N -3.82 -0.07 0.01 7.63 0.00 -1.26 -4.26 107.32 105.55 3du0 s GLY 99 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.75 3du0 s GLY 99 CO 0.86 4.81 -0.24 0.00 0.00 0.00 0.00 173.10 178.53 3du0 s LEU 101 N -0.82 4.24 -0.21 0.00 2.96 0.42 -0.81 118.68 124.45 3du0 s LEU 101 Ca 0.10 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3du0 s LEU 101 Cb -0.09 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.68 3du0 s LEU 101 CO 0.00 -0.26 -0.11 0.28 -1.32 0.00 0.00 176.35 174.94 3du0 s THR 102 N 1.55 1.76 0.43 3.68 -1.32 -0.04 -0.97 115.64 120.72 3du0 s THR 102 Ca 0.03 -1.14 -0.19 0.00 -1.21 0.00 0.00 61.69 59.18 3du0 s THR 102 Cb -0.18 -1.84 -0.10 0.00 -1.51 0.00 0.00 72.50 68.87 3du0 s THR 102 CO 0.05 0.14 0.91 0.54 -2.21 0.00 0.00 174.62 174.05 3du0 s VAL 103 N 1.33 4.48 0.21 5.08 0.11 -1.26 -1.40 120.40 128.96 3du0 s VAL 103 Ca -0.03 1.31 -0.32 0.00 -2.93 0.00 0.00 61.98 60.01 3du0 s VAL 103 Cb -0.17 -3.63 -0.14 0.00 -1.53 0.00 0.00 36.38 30.91 3du0 s VAL 103 CO -0.08 -0.37 1.40 0.35 -3.33 0.00 0.00 175.10 173.06 3du0 n THR 104 N -0.79 0.78 -1.47 5.04 -2.24 -0.69 -4.59 114.28 110.32 3du0 n THR 104 Ca 0.06 -0.20 -0.55 0.00 -2.27 0.00 0.00 64.05 61.10 3du0 n THR 104 Cb 0.54 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.33 3du0 n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3du0 n PRO 105 N 2.20 0.07 -4.03 -0.78 -0.02 -1.26 -4.93 135.00 126.24 3du0 n PRO 105 Ca 0.13 0.03 -0.26 0.00 -2.02 0.00 0.00 63.50 61.37 3du0 n PRO 105 Cb 0.30 -1.36 -0.05 0.00 -0.02 0.00 0.00 33.50 32.37 3du0 n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3du0 s TYR 106 N -0.33 3.27 0.00 6.00 -0.85 -1.26 -4.54 117.35 119.64 3du0 s TYR 106 Ca 0.81 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 57.40 3du0 s TYR 106 Cb -1.13 -1.57 0.00 0.00 0.38 0.00 0.00 41.96 39.63 3du0 s TYR 106 CO 0.56 0.52 0.00 0.98 -1.52 0.00 0.00 175.55 176.09 3du0 n TYR 107 N -0.35 0.00 1.16 -3.49 9.36 -0.59 -4.52 117.16 118.72 3du0 n TYR 107 Ca -0.08 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.28 3du0 n TYR 107 Cb 0.54 0.00 0.49 0.00 -0.63 0.00 0.00 39.34 39.75 3du0 n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3du0 n ASN 108 N 2.91 0.36 -3.44 2.98 0.23 -1.26 -4.99 115.26 112.05 3du0 n ASN 108 Ca 0.00 -0.17 -0.20 0.00 -0.53 0.00 0.00 54.58 53.68 3du0 n ASN 108 Cb 0.00 -0.09 0.04 0.00 -2.08 0.00 0.00 39.78 37.65 3du0 n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3du0 n ARG 109 N -1.27 -1.57 -1.29 -3.83 1.74 -1.26 -4.94 116.66 104.24 3du0 n ARG 109 Ca 0.09 0.81 -0.32 0.00 -0.77 0.00 0.00 57.85 57.66 3du0 n ARG 109 Cb 0.32 -4.81 0.10 0.00 -1.02 0.00 0.00 32.46 27.05 3du0 n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3du0 s PRO 110 N -4.83 2.10 1.13 5.56 0.04 -1.26 -5.04 135.00 132.70 3du0 s PRO 110 Ca 0.34 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 3du0 s PRO 110 Cb -0.09 -1.86 0.25 0.00 0.04 0.00 0.00 34.50 32.84 3du0 s PRO 110 CO 0.81 -1.80 1.08 -1.54 0.04 0.00 0.00 177.00 175.59 3du0 s SER 111 N -2.79 1.50 0.31 6.66 1.04 -1.26 -4.80 113.70 114.36 3du0 s SER 111 Ca 0.66 0.96 0.01 0.00 0.48 0.00 0.00 55.95 58.06 3du0 s SER 111 Cb -0.21 -1.45 0.50 0.00 0.10 0.00 0.00 66.02 64.96 3du0 s SER 111 CO 0.51 -3.80 1.87 1.56 0.98 0.00 0.00 173.24 174.36 3du0 h GLN 112 N -2.35 0.74 -0.73 4.02 1.08 -1.96 -0.22 115.11 115.68 3du0 h GLN 112 Ca -0.51 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 56.53 3du0 h GLN 112 Cb 1.32 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.59 3du0 h GLN 112 CO 0.46 0.66 0.35 1.49 -0.95 0.00 0.00 178.83 180.84 3du0 h GLU 113 N 0.72 1.05 -0.82 1.46 4.57 -1.99 -0.48 114.58 119.10 3du0 h GLU 113 Ca 0.17 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3du0 h GLU 113 Cb 0.24 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3du0 h GLU 113 CO -0.01 0.82 0.37 0.78 -1.18 0.00 0.00 179.01 179.79 3du0 h GLY 114 N 1.03 1.29 0.83 1.92 0.00 -1.62 -0.02 103.07 106.50 3du0 h GLY 114 Ca 0.25 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3du0 h GLY 114 CO -0.03 0.63 -0.13 1.41 0.00 0.00 0.00 176.54 178.42 3du0 h LEU 115 N 1.18 -0.31 -1.00 3.11 3.38 -0.77 -0.34 115.31 120.56 3du0 h LEU 115 Ca 0.28 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3du0 h LEU 115 Cb 0.16 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.85 3du0 h LEU 115 CO -0.03 -0.07 -0.47 0.00 0.09 0.00 0.00 178.44 177.95 3du0 n TYR 116 N -5.17 -0.16 -0.28 1.13 9.36 -0.22 -1.51 117.16 120.31 3du0 n TYR 116 Ca -0.10 1.24 -0.04 0.00 3.32 0.00 0.00 57.90 62.32 3du0 n TYR 116 Cb 0.22 -0.75 0.07 0.00 -0.63 0.00 0.00 39.34 38.24 3du0 n TYR 116 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 3du0 h GLN 117 N 0.00 0.99 0.31 2.98 1.08 -0.82 -1.22 115.11 118.42 3du0 h GLN 117 Ca 0.27 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3du0 h GLN 117 Cb 0.52 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3du0 h GLN 117 CO -0.97 0.65 -0.28 1.25 -0.95 0.00 0.00 178.83 178.54 3du0 h HIS 118 N 1.02 -0.74 0.00 2.96 2.76 -0.56 -1.76 115.15 118.83 3du0 h HIS 118 Ca 0.28 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.21 3du0 h HIS 118 Cb -0.10 0.28 0.01 0.00 1.55 0.00 0.00 27.41 29.15 3du0 h HIS 118 CO -0.02 -0.41 -0.99 0.74 -1.30 0.00 0.00 177.93 175.95 3du0 h PHE 119 N -0.60 0.83 -0.75 5.26 0.04 -1.22 -2.44 116.94 118.05 3du0 h PHE 119 Ca -0.02 -0.45 0.04 0.00 2.80 0.00 0.00 57.97 60.35 3du0 h PHE 119 Cb 0.54 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 3du0 h PHE 119 CO -0.16 1.28 0.46 -0.22 -0.60 0.00 0.00 178.31 179.07 3du0 h LYS 120 N 0.31 0.85 -0.46 1.51 3.64 -1.27 -0.41 116.57 120.74 3du0 h LYS 120 Ca -0.10 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 3du0 h LYS 120 Cb 1.64 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 3du0 h LYS 120 CO 0.18 0.56 0.05 0.00 -2.27 0.00 0.00 179.45 177.98 3du0 h ALA 121 N 1.34 0.62 0.01 5.00 0.00 -1.23 -1.82 119.26 123.18 3du0 h ALA 121 Ca 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3du0 h ALA 121 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3du0 h ALA 121 CO -0.14 0.36 -0.00 0.82 0.00 0.00 0.00 179.25 180.29 3du0 h ILE 122 N 0.64 1.01 -0.12 0.00 2.04 -1.19 -2.87 117.51 117.01 3du0 h ILE 122 Ca 0.14 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3du0 h ILE 122 Cb 0.42 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3du0 h ILE 122 CO 0.01 0.01 0.03 0.00 0.00 0.00 0.00 178.15 178.21 3du0 h ALA 123 N 0.96 1.84 0.00 1.87 0.00 -0.96 -2.17 119.26 120.79 3du0 h ALA 123 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3du0 h ALA 123 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3du0 h ALA 123 CO 0.00 0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.32 3du0 h GLU 124 N 0.17 0.00 -0.43 0.00 5.08 -1.10 -3.08 114.58 115.21 3du0 h GLU 124 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3du0 h GLU 124 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3du0 h GLU 124 CO -0.00 0.00 0.02 0.72 -1.00 0.00 0.00 179.01 178.74 3du0 n HIS 125 N -2.31 1.53 -3.55 4.33 8.25 -0.82 -4.97 115.22 117.68 3du0 n HIS 125 Ca 0.03 -0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 56.49 3du0 n HIS 125 Cb 0.27 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 3du0 n HIS 125 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3du0 s THR 126 N -2.84 0.03 -0.51 1.59 -1.32 -1.17 -4.79 115.64 106.63 3du0 s THR 126 Ca 0.48 -0.22 0.18 0.00 -1.21 0.00 0.00 61.69 60.92 3du0 s THR 126 Cb 0.38 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 70.14 3du0 s THR 126 CO 0.12 -0.12 0.62 0.47 -2.21 0.00 0.00 174.62 173.49 3du0 n ASP 127 N 0.24 0.81 -4.75 8.08 8.00 -1.26 -4.93 116.55 122.73 3du0 n ASP 127 Ca -0.18 -0.55 -0.41 0.00 0.71 0.00 0.00 54.79 54.36 3du0 n ASP 127 Cb 0.61 1.34 -0.02 0.00 -0.02 0.00 0.00 41.12 43.03 3du0 n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3du0 s LEU 128 N -3.43 4.40 0.21 0.64 1.43 -1.26 -4.96 118.68 115.70 3du0 s LEU 128 Ca 0.01 2.68 -0.32 0.00 -1.03 0.00 0.00 54.13 55.48 3du0 s LEU 128 Cb 0.13 -3.63 -0.15 0.00 0.03 0.00 0.00 46.19 42.57 3du0 s LEU 128 CO 0.75 -0.65 1.24 -2.65 0.23 0.00 0.00 176.35 175.27 3du0 n PRO 129 N 1.74 1.49 -4.10 1.29 -0.02 -1.26 -4.84 135.00 129.31 3du0 n PRO 129 Ca 0.04 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 3du0 n PRO 129 Cb 0.41 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 3du0 n PRO 129 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3du0 s GLN 130 N -0.50 3.37 -0.33 -0.52 -1.52 0.30 -0.77 119.66 119.69 3du0 s GLN 130 Ca 0.70 -0.64 -0.10 0.00 -1.95 0.00 0.00 55.36 53.36 3du0 s GLN 130 Cb -0.76 -2.91 -0.00 0.00 -0.22 0.00 0.00 33.01 29.11 3du0 s GLN 130 CO 0.52 -0.10 0.18 0.42 -0.25 0.00 0.00 175.29 176.06 3du0 s ILE 131 N 1.20 4.70 0.71 1.08 1.01 0.01 -0.56 121.20 129.37 3du0 s ILE 131 Ca 0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 3du0 s ILE 131 Cb -0.14 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.91 3du0 s ILE 131 CO -0.02 -0.01 1.09 -0.76 0.00 0.00 0.00 174.94 175.25 3du0 s LEU 132 N 1.62 3.20 -0.09 2.97 1.43 -0.22 -0.86 118.68 126.72 3du0 s LEU 132 Ca 0.04 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 54.98 3du0 s LEU 132 Cb -0.18 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.56 3du0 s LEU 132 CO 0.07 -1.79 0.11 -0.47 0.23 0.00 0.00 176.35 174.50 3du0 s TYR 133 N -2.68 -0.01 -0.21 0.29 5.04 -0.50 -4.24 117.35 115.05 3du0 s TYR 133 Ca 0.63 0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 55.49 3du0 s TYR 133 Cb -0.18 -0.45 0.00 0.00 0.35 0.00 0.00 41.96 41.69 3du0 s TYR 133 CO 0.49 -0.31 -0.09 1.21 -1.34 0.00 0.00 175.55 175.51 3du0 s ASN 134 N 2.21 3.91 -0.43 4.32 2.47 -1.26 -1.70 114.94 124.46 3du0 s ASN 134 Ca 0.04 -0.48 0.07 0.00 0.42 0.00 0.00 52.86 52.91 3du0 s ASN 134 Cb -0.13 -1.65 0.25 0.00 -1.45 0.00 0.00 41.25 38.27 3du0 s ASN 134 CO -0.06 -0.01 0.71 0.55 -3.72 0.00 0.00 177.10 174.56 3du0 n VAL 135 N 4.74 -0.36 0.03 -5.21 3.14 -1.26 -1.01 118.33 118.40 3du0 n VAL 135 Ca -0.19 -2.93 0.21 0.00 -2.96 0.00 0.00 64.34 58.47 3du0 n VAL 135 Cb 0.51 -0.32 0.73 0.00 -1.06 0.00 0.00 33.84 33.69 3du0 n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3du0 h PRO 136 N 3.90 0.00 0.00 1.45 0.11 -1.92 -1.06 132.00 134.48 3du0 h PRO 136 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3du0 h PRO 136 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3du0 h PRO 136 CO 0.40 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.68 3du0 h SER 137 N 0.00 0.00 0.18 -2.05 4.64 -1.95 -1.69 113.55 112.68 3du0 h SER 137 Ca 0.23 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.23 3du0 h SER 137 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 3du0 h SER 137 CO -0.00 0.16 -2.12 0.54 -0.87 0.00 0.00 176.83 174.54 3du0 n ARG 138 N -3.31 0.67 -0.08 4.77 1.74 -0.43 -4.69 116.66 115.34 3du0 n ARG 138 Ca 0.00 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 3du0 n ARG 138 Cb 0.40 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 3du0 n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3du0 n THR 139 N -2.83 1.20 -1.01 0.55 -2.24 -1.05 -4.78 114.28 104.12 3du0 n THR 139 Ca -0.26 -0.80 -0.00 0.00 -2.27 0.00 0.00 64.05 60.72 3du0 n THR 139 Cb 1.10 -0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3du0 n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3du0 n GLY 140 N 1.66 0.42 3.07 3.38 0.00 -0.65 -1.54 105.19 111.54 3du0 n GLY 140 Ca -0.27 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 3du0 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3du0 s ASP 142 N -0.32 4.11 -0.39 0.00 2.15 -1.26 -3.55 116.67 117.40 3du0 s ASP 142 Ca 0.04 -1.41 -0.29 0.00 0.43 0.00 0.00 52.55 51.33 3du0 s ASP 142 Cb -0.05 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 3du0 s ASP 142 CO -0.00 -0.27 1.48 -0.22 -0.17 0.00 0.00 175.17 175.99 3du0 s LEU 143 N 1.29 3.58 0.38 -1.34 2.96 -1.26 -4.98 118.68 119.31 3du0 s LEU 143 Ca -0.02 0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 54.73 3du0 s LEU 143 Cb -0.19 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 3du0 s LEU 143 CO -0.08 -1.47 0.71 -0.76 -1.32 0.00 0.00 176.35 173.43 3du0 s LEU 144 N 5.65 3.88 0.29 -0.68 1.43 -1.26 -4.87 118.68 123.11 3du0 s LEU 144 Ca 0.64 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3du0 s LEU 144 Cb -0.15 -3.86 0.74 0.00 0.03 0.00 0.00 46.19 42.94 3du0 s LEU 144 CO 0.33 -0.36 1.68 -0.65 0.23 0.00 0.00 176.35 177.58 3du0 h PRO 145 N 1.29 0.34 -0.25 1.29 0.11 -1.95 -0.99 132.00 131.84 3du0 h PRO 145 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3du0 h PRO 145 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3du0 h PRO 145 CO 0.64 0.22 0.15 1.49 -0.21 0.00 0.00 178.00 180.30 3du0 h GLU 146 N 0.35 0.34 0.08 1.05 4.81 -1.93 0.11 114.58 119.38 3du0 h GLU 146 Ca 0.56 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.48 3du0 h GLU 146 Cb 1.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3du0 h GLU 146 CO -0.56 0.24 -1.45 1.15 -0.73 0.00 0.00 179.01 177.66 3du0 h THR 147 N 0.34 1.22 -0.52 0.32 2.02 -1.59 -2.67 112.91 112.04 3du0 h THR 147 Ca 0.09 -2.91 0.06 0.00 0.77 0.00 0.00 66.41 64.42 3du0 h THR 147 Cb -0.01 2.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 3du0 h THR 147 CO -0.02 0.80 0.22 0.58 0.37 0.00 0.00 175.52 177.47 3du0 h VAL 148 N 0.04 0.88 -0.68 3.16 2.07 -0.74 -1.99 116.25 118.99 3du0 h VAL 148 Ca -0.20 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.32 3du0 h VAL 148 Cb 1.97 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 32.03 3du0 h VAL 148 CO 0.14 0.08 -0.07 1.23 0.02 0.00 0.00 177.57 178.98 3du0 h GLY 149 N 0.43 0.64 0.93 2.17 0.00 -0.96 0.26 103.07 106.53 3du0 h GLY 149 Ca 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 3du0 h GLY 149 CO -0.22 -0.25 0.11 3.21 0.00 0.00 0.00 176.54 179.40 3du0 h ARG 150 N 0.06 0.32 -0.14 4.80 3.08 -1.23 -3.21 114.38 118.05 3du0 h ARG 150 Ca 0.35 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.17 3du0 h ARG 150 Cb 0.57 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3du0 h ARG 150 CO -0.63 0.31 -0.68 -0.07 -1.07 0.00 0.00 179.97 177.83 3du0 h LEU 151 N 0.24 0.68 -0.86 3.04 3.38 -0.92 -2.94 115.31 117.93 3du0 h LEU 151 Ca 0.08 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3du0 h LEU 151 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3du0 h LEU 151 CO -0.01 1.17 0.20 0.00 0.09 0.00 0.00 178.44 179.89 3du0 n ALA 152 N -2.54 0.74 0.33 1.53 0.00 0.88 -0.45 120.51 120.98 3du0 n ALA 152 Ca -0.05 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3du0 n ALA 152 Cb 0.68 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.41 3du0 n ALA 152 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3du0 h LYS 153 N 0.00 0.00 -6.59 0.00 1.57 -1.58 -3.44 116.57 106.52 3du0 h LYS 153 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3du0 h LYS 153 Cb 0.40 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.73 3du0 h LYS 153 CO 0.00 0.00 0.66 0.08 -0.57 0.00 0.00 179.45 179.62 3du0 s VAL 154 N -3.22 3.40 0.17 0.50 1.01 0.40 -4.96 120.40 117.71 3du0 s VAL 154 Ca 0.06 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.95 3du0 s VAL 154 Cb 0.09 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.86 3du0 s VAL 154 CO 0.69 0.12 1.70 0.50 0.00 0.00 0.00 175.10 178.10 3du0 h LYS 155 N 6.15 0.10 -0.63 2.72 3.64 -1.86 -2.43 116.57 124.26 3du0 h LYS 155 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3du0 h LYS 155 Cb 1.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3du0 h LYS 155 CO 0.81 0.07 0.00 0.27 -2.27 0.00 0.00 179.45 178.33 3du0 n ASN 156 N -5.20 3.47 -4.51 4.20 6.94 -1.26 -4.73 115.26 114.17 3du0 n ASN 156 Ca 0.03 -2.05 -0.43 0.00 -0.02 0.00 0.00 54.58 52.10 3du0 n ASN 156 Cb 0.22 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 37.14 3du0 n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3du0 s ILE 157 N -1.25 4.73 0.00 1.53 1.01 -0.92 0.11 121.20 126.41 3du0 s ILE 157 Ca 0.42 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.17 3du0 s ILE 157 Cb 0.23 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3du0 s ILE 157 CO 0.27 -0.75 0.35 2.30 0.00 0.00 0.00 174.94 177.11 3du0 n ILE 158 N 5.93 0.00 -3.69 2.92 -6.64 0.28 -4.62 119.36 113.54 3du0 n ILE 158 Ca -0.01 -0.43 0.00 0.00 -1.77 0.00 0.00 62.75 60.54 3du0 n ILE 158 Cb 0.47 1.11 -0.00 0.00 -1.44 0.00 0.00 39.64 39.78 3du0 n ILE 158 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3du0 s GLY 159 N -0.17 -0.33 0.00 3.28 0.00 -1.20 -1.33 107.32 107.58 3du0 s GLY 159 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.19 3du0 s GLY 159 CO 0.00 0.64 0.00 4.51 0.00 0.00 0.00 173.10 178.25 3du0 n ILE 160 N -0.53 0.00 -3.15 0.90 3.06 -0.39 -1.06 119.36 118.19 3du0 n ILE 160 Ca -0.07 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.24 3du0 n ILE 160 Cb 0.62 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.79 3du0 n ILE 160 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3du0 s GLU 162 N 2.82 0.12 0.00 9.51 -6.30 0.98 -1.02 118.70 124.82 3du0 s GLU 162 Ca 0.00 0.18 0.21 0.00 -2.50 0.00 0.00 54.97 52.86 3du0 s GLU 162 Cb 0.00 0.10 0.47 0.00 0.00 0.00 0.00 34.13 34.69 3du0 s GLU 162 CO 0.00 -0.17 1.40 0.00 0.02 0.00 0.00 175.26 176.51 3du0 n ALA 163 N 5.33 2.38 0.23 6.30 0.00 -0.18 -1.33 120.51 133.24 3du0 n ALA 163 Ca -0.01 -1.09 0.07 0.00 0.00 0.00 0.00 53.44 52.41 3du0 n ALA 163 Cb 0.56 -0.81 0.55 0.00 0.00 0.00 0.00 19.45 19.74 3du0 n ALA 163 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3du0 h THR 164 N 4.05 0.94 0.00 0.00 1.35 -1.91 -3.43 112.91 113.91 3du0 h THR 164 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3du0 h THR 164 Cb 0.94 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3du0 h THR 164 CO 0.00 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 3du0 n GLY 165 N -0.75 0.76 3.46 5.82 0.00 -1.26 -4.98 105.19 108.24 3du0 n GLY 165 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3du0 n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3du0 s ASN 166 N -2.65 6.31 0.43 1.61 3.84 -1.26 -4.92 114.94 118.30 3du0 s ASN 166 Ca 0.00 -1.29 0.30 0.00 0.21 0.00 0.00 52.86 52.08 3du0 s ASN 166 Cb 0.00 -2.43 1.41 0.00 -0.55 0.00 0.00 41.25 39.68 3du0 s ASN 166 CO 0.00 -1.36 1.90 -0.07 -2.79 0.00 0.00 177.10 174.79 3du0 h LEU 167 N 11.24 0.00 -1.86 3.21 3.38 -1.98 -2.00 115.31 127.31 3du0 h LEU 167 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3du0 h LEU 167 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3du0 h LEU 167 CO 1.18 0.00 0.00 0.71 0.09 0.00 0.00 178.44 180.42 3du0 h THR 168 N 0.00 0.00 0.00 0.22 1.35 -2.02 -2.67 112.91 109.79 3du0 h THR 168 Ca 0.00 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.54 3du0 h THR 168 Cb 0.26 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3du0 h THR 168 CO 0.00 0.00 -0.34 0.03 -0.25 0.00 0.00 175.52 174.96 3du0 h ARG 169 N 0.00 0.00 -0.17 4.72 2.47 -1.79 -2.92 114.38 116.69 3du0 h ARG 169 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3du0 h ARG 169 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3du0 h ARG 169 CO 0.00 0.34 0.01 0.28 0.56 0.00 0.00 179.97 181.16 3du0 h VAL 170 N 0.00 0.90 0.00 2.04 2.07 -1.70 -0.61 116.25 118.95 3du0 h VAL 170 Ca -0.00 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3du0 h VAL 170 Cb 0.77 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3du0 h VAL 170 CO 0.04 0.01 -0.75 0.78 0.02 0.00 0.00 177.57 177.67 3du0 h ASN 171 N 0.07 0.00 -0.64 0.57 2.35 -1.77 -1.12 115.58 115.04 3du0 h ASN 171 Ca 0.08 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3du0 h ASN 171 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3du0 h ASN 171 CO -0.12 0.28 0.09 1.56 -1.65 0.00 0.00 177.43 177.59 3du0 h GLN 172 N 0.00 1.06 -0.05 0.81 4.20 -1.40 -2.39 115.11 117.35 3du0 h GLN 172 Ca -0.04 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.24 3du0 h GLN 172 Cb 1.25 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.92 3du0 h GLN 172 CO 0.03 0.99 -0.50 0.82 -0.67 0.00 0.00 178.83 179.50 3du0 h ILE 173 N 0.98 1.41 -0.95 2.54 2.04 -1.10 -3.33 117.51 119.09 3du0 h ILE 173 Ca 0.19 -1.92 0.11 0.00 1.00 0.00 0.00 64.86 64.24 3du0 h ILE 173 Cb 0.45 2.42 -0.08 0.00 -0.74 0.00 0.00 36.82 38.87 3du0 h ILE 173 CO 0.01 0.56 0.59 0.50 0.00 0.00 0.00 178.15 179.82 3du0 h LYS 174 N -0.05 0.93 0.00 2.37 3.64 -1.18 -1.74 116.57 120.54 3du0 h LYS 174 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3du0 h LYS 174 Cb 1.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3du0 h LYS 174 CO 0.10 0.62 0.00 -1.91 -2.27 0.00 0.00 179.45 175.99 3du0 n GLU 175 N -4.64 0.18 0.00 1.90 4.07 -0.90 -2.80 120.64 118.44 3du0 n GLU 175 Ca 0.17 0.47 0.04 0.00 -0.06 0.00 0.00 57.16 57.79 3du0 n GLU 175 Cb 0.31 -1.88 -0.01 0.00 -0.06 0.00 0.00 31.44 29.80 3du0 n GLU 175 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3du0 n LEU 176 N -2.22 0.96 -4.43 4.31 4.32 -0.67 -5.02 117.00 114.25 3du0 n LEU 176 Ca 0.01 -0.69 -0.21 0.00 -0.02 0.00 0.00 56.01 55.09 3du0 n LEU 176 Cb 0.18 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.87 3du0 n LEU 176 CO 0.17 0.20 -0.39 0.68 -1.22 0.00 0.00 177.39 176.83 3du0 s VAL 177 N -1.43 1.76 0.75 4.08 -7.23 -1.10 -4.65 120.40 112.57 3du0 s VAL 177 Ca 0.06 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 3du0 s VAL 177 Cb 0.07 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.66 3du0 s VAL 177 CO 0.27 -0.34 1.09 -0.94 -0.31 0.00 0.00 175.10 174.87 3du0 s SER 178 N -3.44 4.65 0.09 4.85 1.04 -1.26 -4.91 113.70 114.71 3du0 s SER 178 Ca 0.29 1.85 0.12 0.00 0.48 0.00 0.00 55.95 58.69 3du0 s SER 178 Cb 0.02 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 64.18 3du0 s SER 178 CO 0.12 -1.94 1.39 -0.67 0.98 0.00 0.00 173.24 173.12 3du0 n ASP 179 N -3.30 0.19 -0.03 7.02 -0.08 -1.26 -1.74 116.55 117.35 3du0 n ASP 179 Ca 0.09 0.56 0.12 0.00 -1.51 0.00 0.00 54.79 54.06 3du0 n ASP 179 Cb 0.53 -0.60 0.24 0.00 2.34 0.00 0.00 41.12 43.63 3du0 n ASP 179 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3du0 n ASP 180 N -1.73 0.61 -4.73 1.67 5.75 -1.26 -4.87 116.55 112.00 3du0 n ASP 180 Ca 0.02 -0.39 -0.42 0.00 -0.01 0.00 0.00 54.79 53.98 3du0 n ASP 180 Cb 0.11 0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 3du0 n ASP 180 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3du0 s PHE 181 N -2.93 3.19 -0.17 2.11 5.36 -0.71 -4.96 117.98 119.87 3du0 s PHE 181 Ca 0.12 1.02 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 3du0 s PHE 181 Cb 0.18 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 3du0 s PHE 181 CO 0.69 -2.38 0.07 0.54 -1.46 0.00 0.00 175.22 172.68 3du0 s VAL 182 N 0.57 4.89 -0.30 3.12 0.11 -0.44 -4.96 120.40 123.39 3du0 s VAL 182 Ca 0.62 -0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.61 3du0 s VAL 182 Cb -0.38 -3.18 0.02 0.00 -1.53 0.00 0.00 36.38 31.30 3du0 s VAL 182 CO 0.35 0.49 0.06 -0.76 -3.33 0.00 0.00 175.10 171.91 3du0 s LEU 183 N 0.06 3.83 -0.05 2.54 1.43 -1.26 -1.26 118.68 123.97 3du0 s LEU 183 Ca 0.06 -0.85 0.05 0.00 -1.03 0.00 0.00 54.13 52.36 3du0 s LEU 183 Cb -0.12 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3du0 s LEU 183 CO 0.01 -0.21 -0.20 -0.76 0.23 0.00 0.00 176.35 175.42 3du0 s LEU 184 N 1.44 2.41 0.36 1.79 1.43 -0.19 -0.03 118.68 125.88 3du0 s LEU 184 Ca 0.01 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.50 3du0 s LEU 184 Cb -0.18 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3du0 s LEU 184 CO 0.01 0.30 1.07 -0.55 0.23 0.00 0.00 176.35 177.41 3du0 s SER 185 N -0.50 6.94 -0.14 2.29 0.15 -0.80 -0.01 113.70 121.63 3du0 s SER 185 Ca 0.06 2.12 0.18 0.00 0.70 0.00 0.00 55.95 59.02 3du0 s SER 185 Cb -0.11 -2.60 0.31 0.00 -1.71 0.00 0.00 66.02 61.90 3du0 s SER 185 CO 0.01 -0.37 1.16 0.61 1.20 0.00 0.00 173.24 175.86 3du0 n GLY 186 N 0.67 4.90 2.59 9.45 0.00 -0.44 -0.13 105.19 122.23 3du0 n GLY 186 Ca 0.03 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 3du0 n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3du0 s ASP 187 N -2.90 3.14 0.22 1.61 2.15 -1.26 -4.61 116.67 115.01 3du0 s ASP 187 Ca 0.33 -1.06 -0.09 0.00 0.43 0.00 0.00 52.55 52.16 3du0 s ASP 187 Cb 0.29 -0.38 0.19 0.00 -0.30 0.00 0.00 42.92 42.73 3du0 s ASP 187 CO 0.02 -0.40 1.87 0.44 -0.17 0.00 0.00 175.17 176.94 3du0 h ASP 188 N 8.37 0.85 0.08 -0.34 3.32 -1.89 -2.06 116.42 124.76 3du0 h ASP 188 Ca -0.18 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3du0 h ASP 188 Cb 1.06 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 3du0 h ASP 188 CO 0.39 0.60 -0.08 0.00 -1.72 0.00 0.00 179.24 178.43 3du0 h ALA 189 N 1.30 1.85 -0.37 3.45 0.00 -1.95 -2.24 119.26 121.30 3du0 h ALA 189 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3du0 h ALA 189 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3du0 h ALA 189 CO -0.09 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 3du0 n SER 190 N -4.41 2.98 0.06 0.00 3.41 -1.01 -4.77 113.62 109.88 3du0 n SER 190 Ca -0.03 -2.00 -0.08 0.00 -0.26 0.00 0.00 58.87 56.50 3du0 n SER 190 Cb 0.16 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 3du0 n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3du0 h ALA 191 N 2.16 0.67 -0.44 7.33 0.00 -0.74 0.18 119.26 128.43 3du0 h ALA 191 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3du0 h ALA 191 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3du0 h ALA 191 CO 0.00 0.76 0.06 1.25 0.00 0.00 0.00 179.25 181.32 3du0 h LEU 192 N 0.24 0.71 -0.53 0.00 5.85 -1.86 -0.40 115.31 119.31 3du0 h LEU 192 Ca -0.02 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.50 3du0 h LEU 192 Cb 1.25 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 3du0 h LEU 192 CO 0.11 0.80 0.20 0.44 -0.34 0.00 0.00 178.44 179.66 3du0 h ASP 193 N 0.59 0.22 -0.40 1.25 3.32 -1.85 0.14 116.42 119.70 3du0 h ASP 193 Ca 0.13 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.32 3du0 h ASP 193 Cb 0.41 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 3du0 h ASP 193 CO 0.01 0.15 -0.11 0.15 -1.72 0.00 0.00 179.24 177.73 3du0 h PHE 194 N 0.39 -0.23 -0.39 4.55 3.04 -0.69 -1.80 116.94 121.81 3du0 h PHE 194 Ca 0.26 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 62.12 3du0 h PHE 194 Cb 0.27 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 3du0 h PHE 194 CO -0.15 -0.18 -0.25 0.52 -2.02 0.00 0.00 178.31 176.22 3du0 h MET 195 N -0.01 0.81 0.00 1.11 2.86 -0.70 -0.35 114.93 118.66 3du0 h MET 195 Ca 0.19 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3du0 h MET 195 Cb 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3du0 h MET 195 CO -0.42 0.97 -0.04 0.37 1.06 0.00 0.00 176.91 178.85 3du0 h GLN 196 N 0.70 0.00 -0.00 1.72 4.15 -0.34 -0.85 115.11 120.49 3du0 h GLN 196 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3du0 h GLN 196 Cb 0.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3du0 h GLN 196 CO 0.06 0.04 -0.08 1.28 -1.93 0.00 0.00 178.83 178.21 3du0 n LEU 197 N -4.21 0.23 0.00 -2.39 4.77 -0.71 -4.89 117.00 109.80 3du0 n LEU 197 Ca -0.03 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3du0 n LEU 197 Cb 0.12 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3du0 n LEU 197 CO 0.32 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3du0 n GLY 198 N 1.32 0.51 3.77 -0.72 0.00 -0.33 -4.75 105.19 104.99 3du0 n GLY 198 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3du0 n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3du0 s GLY 199 N -0.34 2.05 0.00 -0.02 0.00 -0.15 -4.88 107.32 103.97 3du0 s GLY 199 Ca 0.00 0.50 0.16 0.00 0.00 0.00 0.00 44.72 45.38 3du0 s GLY 199 CO 0.00 0.85 0.81 1.42 0.00 0.00 0.00 173.10 176.18 3du0 n HIS 200 N -2.70 0.00 -3.56 1.90 8.25 0.95 -4.43 115.22 115.63 3du0 n HIS 200 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3du0 n HIS 200 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3du0 n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du0 n GLY 201 N 1.23 -0.69 3.18 -1.41 0.00 -1.24 -1.78 105.19 104.48 3du0 n GLY 201 Ca 0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3du0 n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3du0 s VAL 202 N -3.00 -0.01 -0.56 1.61 0.11 -0.50 -1.91 120.40 116.14 3du0 s VAL 202 Ca 0.00 0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 58.88 3du0 s VAL 202 Cb 0.00 -0.45 0.07 0.00 -1.53 0.00 0.00 36.38 34.47 3du0 s VAL 202 CO 0.00 0.02 0.77 -0.63 -3.33 0.00 0.00 175.10 171.92 3du0 s ILE 203 N 0.53 4.67 -0.13 7.04 1.01 0.81 -1.17 121.20 133.97 3du0 s ILE 203 Ca -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3du0 s ILE 203 Cb -0.05 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3du0 s ILE 203 CO -0.03 -1.05 0.10 -0.55 0.00 0.00 0.00 174.94 173.41 3du0 s SER 204 N 3.10 6.06 -0.12 3.58 0.15 0.20 -4.53 113.70 122.14 3du0 s SER 204 Ca 0.19 0.34 -0.26 0.00 0.70 0.00 0.00 55.95 56.91 3du0 s SER 204 Cb -0.19 -1.94 -0.27 0.00 -1.71 0.00 0.00 66.02 61.92 3du0 s SER 204 CO 0.12 0.35 0.73 0.58 1.20 0.00 0.00 173.24 176.22 3du0 h VAL 205 N 4.19 1.60 -1.18 4.45 2.07 -1.87 -0.35 116.25 125.17 3du0 h VAL 205 Ca -0.51 -2.38 0.34 0.00 0.82 0.00 0.00 66.70 64.98 3du0 h VAL 205 Cb 1.21 3.20 -0.10 0.00 -1.52 0.00 0.00 31.29 34.08 3du0 h VAL 205 CO 0.61 0.61 0.77 0.74 0.02 0.00 0.00 177.57 180.32 3du0 h THR 206 N -0.82 0.36 0.00 2.57 2.02 -1.94 -1.91 112.91 113.18 3du0 h THR 206 Ca -0.08 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3du0 h THR 206 Cb 1.22 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3du0 h THR 206 CO 0.02 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3du0 h ALA 207 N 1.57 1.00 -0.92 6.16 0.00 -1.84 -2.13 119.26 123.10 3du0 h ALA 207 Ca 0.68 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.72 3du0 h ALA 207 Cb 2.02 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.72 3du0 h ALA 207 CO -0.30 0.00 0.54 -0.91 0.00 0.00 0.00 179.25 178.58 3du0 h ASN 208 N 0.00 0.73 -0.00 0.00 2.35 -1.57 -2.88 115.58 114.21 3du0 h ASN 208 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3du0 h ASN 208 Cb 0.31 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3du0 h ASN 208 CO 0.00 0.35 -0.08 1.33 -1.65 0.00 0.00 177.43 177.38 3du0 n VAL 209 N -4.75 0.00 -2.67 2.81 0.24 -0.97 -4.74 118.33 108.25 3du0 n VAL 209 Ca 0.18 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 3du0 n VAL 209 Cb 0.40 1.03 0.03 0.00 -1.47 0.00 0.00 33.84 33.83 3du0 n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3du0 n ALA 210 N -0.59 3.40 -0.15 2.33 0.00 -0.84 -4.96 120.51 119.70 3du0 n ALA 210 Ca 0.01 -3.16 -0.02 0.00 0.00 0.00 0.00 53.44 50.27 3du0 n ALA 210 Cb 0.06 -0.86 0.20 0.00 0.00 0.00 0.00 19.45 18.84 3du0 n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3du0 h ALA 211 N 2.83 1.27 -0.08 0.00 0.00 -1.74 -1.95 119.26 119.58 3du0 h ALA 211 Ca -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3du0 h ALA 211 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3du0 h ALA 211 CO 0.45 0.53 -0.16 -0.09 0.00 0.00 0.00 179.25 179.99 3du0 h ARG 212 N 0.86 0.24 -0.82 0.00 2.43 -1.88 -1.81 114.38 113.41 3du0 h ARG 212 Ca 0.20 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3du0 h ARG 212 Cb 0.19 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3du0 h ARG 212 CO -0.02 0.75 0.50 -0.44 -1.51 0.00 0.00 179.97 179.26 3du0 h ASP 213 N -0.23 0.99 -0.61 -3.80 3.32 -1.88 -1.98 116.42 112.23 3du0 h ASP 213 Ca 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3du0 h ASP 213 Cb 0.74 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3du0 h ASP 213 CO 0.04 0.76 0.01 0.24 -1.72 0.00 0.00 179.24 178.56 3du0 h MET 214 N 1.13 1.07 -0.19 3.56 2.86 -1.34 0.14 114.93 122.16 3du0 h MET 214 Ca 0.30 -0.33 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 3du0 h MET 214 Cb -0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3du0 h MET 214 CO -0.06 1.04 -0.53 0.00 1.06 0.00 0.00 176.91 178.42 3du0 h ALA 215 N 1.01 0.73 -0.17 6.32 0.00 -1.06 -1.21 119.26 124.88 3du0 h ALA 215 Ca 0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3du0 h ALA 215 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3du0 h ALA 215 CO 0.03 0.68 -0.11 0.37 0.00 0.00 0.00 179.25 180.22 3du0 h GLN 216 N 0.42 0.37 -0.34 0.00 5.75 -1.14 -1.96 115.11 118.21 3du0 h GLN 216 Ca 0.01 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 3du0 h GLN 216 Cb 1.06 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 3du0 h GLN 216 CO 0.10 0.71 0.15 1.98 -2.65 0.00 0.00 178.83 179.12 3du0 h MET 217 N 0.03 0.31 -0.03 1.69 4.05 -0.59 -0.74 114.93 119.66 3du0 h MET 217 Ca 0.03 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3du0 h MET 217 Cb 0.62 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 3du0 h MET 217 CO 0.03 0.21 -0.13 0.00 0.23 0.00 0.00 176.91 177.25 3du0 h LYS 219 N 0.04 0.19 -0.41 0.00 3.64 -0.71 -2.12 116.57 117.19 3du0 h LYS 219 Ca 0.01 -0.24 0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3du0 h LYS 219 Cb 0.25 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.06 3du0 h LYS 219 CO 0.02 1.01 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.77 3du0 h LEU 220 N -0.52 -1.23 -0.55 5.20 3.38 -1.09 -1.26 115.31 119.24 3du0 h LEU 220 Ca -0.05 0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.23 3du0 h LEU 220 Cb 1.15 0.56 -0.11 0.00 0.09 0.00 0.00 40.66 42.35 3du0 h LEU 220 CO 0.07 -0.34 -0.15 0.00 0.09 0.00 0.00 178.44 178.10 3du0 h ALA 221 N 0.62 0.34 0.00 1.53 0.00 -1.07 -0.14 119.26 120.54 3du0 h ALA 221 Ca 0.16 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3du0 h ALA 221 Cb 0.56 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3du0 h ALA 221 CO -0.56 -0.45 -0.16 0.00 0.00 0.00 0.00 179.25 178.08 3du0 h ALA 222 N 1.52 1.30 -0.01 0.00 0.00 -0.89 -1.02 119.26 120.16 3du0 h ALA 222 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3du0 h ALA 222 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3du0 h ALA 222 CO -0.58 0.20 -0.15 0.39 0.00 0.00 0.00 179.25 179.12 3du0 n GLU 223 N -3.71 1.01 -0.68 0.00 1.02 -0.52 -4.92 120.64 112.84 3du0 n GLU 223 Ca -0.02 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 3du0 n GLU 223 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3du0 n GLU 223 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3du0 n GLY 224 N 1.27 0.71 2.59 0.62 0.00 -0.39 -4.96 105.19 105.03 3du0 n GLY 224 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3du0 n GLY 224 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3du0 n HIS 225 N -2.50 2.92 0.03 1.61 8.25 -0.15 -4.72 115.22 120.65 3du0 n HIS 225 Ca 0.00 -2.95 -0.09 0.00 -0.26 0.00 0.00 57.72 54.42 3du0 n HIS 225 Cb 0.00 -2.29 0.05 0.00 1.12 0.00 0.00 29.99 28.87 3du0 n HIS 225 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3du0 h PHE 226 N 5.42 0.63 -0.65 4.41 0.04 -1.88 -0.94 116.94 123.96 3du0 h PHE 226 Ca 0.65 -0.24 -0.04 0.00 2.80 0.00 0.00 57.97 61.13 3du0 h PHE 226 Cb 0.47 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3du0 h PHE 226 CO 1.57 0.98 0.23 0.00 -0.60 0.00 0.00 178.31 180.49 3du0 h ALA 227 N 0.97 0.85 -0.43 2.45 0.00 -1.97 -1.63 119.26 119.50 3du0 h ALA 227 Ca -0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3du0 h ALA 227 Cb 1.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3du0 h ALA 227 CO 0.11 0.50 -0.30 1.49 0.00 0.00 0.00 179.25 181.05 3du0 h GLU 228 N 0.93 0.96 -0.89 0.00 4.81 -1.88 -3.03 114.58 115.48 3du0 h GLU 228 Ca 0.21 -0.46 0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3du0 h GLU 228 Cb 0.25 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 3du0 h GLU 228 CO -0.01 1.12 0.57 0.00 -0.73 0.00 0.00 179.01 179.96 3du0 h ALA 229 N 0.81 1.61 -0.05 2.92 0.00 -0.93 -2.94 119.26 120.69 3du0 h ALA 229 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3du0 h ALA 229 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3du0 h ALA 229 CO 0.08 0.22 -0.50 -0.09 0.00 0.00 0.00 179.25 178.96 3du0 h ARG 230 N 0.91 0.12 -0.91 0.00 2.43 -1.18 -0.58 114.38 115.16 3du0 h ARG 230 Ca 0.40 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 3du0 h ARG 230 Cb 0.35 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3du0 h ARG 230 CO -0.17 0.59 0.59 0.28 -1.51 0.00 0.00 179.97 179.75 3du0 h VAL 231 N 0.10 1.12 -0.06 0.20 2.07 -1.46 0.98 116.25 119.21 3du0 h VAL 231 Ca 0.00 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3du0 h VAL 231 Cb 0.91 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3du0 h VAL 231 CO 0.07 0.20 -0.03 0.40 0.02 0.00 0.00 177.57 178.24 3du0 h ILE 232 N 1.11 1.32 -0.70 4.57 2.04 -1.22 -2.92 117.51 121.72 3du0 h ILE 232 Ca 0.38 -1.02 0.13 0.00 1.00 0.00 0.00 64.86 65.34 3du0 h ILE 232 Cb 0.06 1.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.94 3du0 h ILE 232 CO -0.14 0.28 0.25 -1.13 0.00 0.00 0.00 178.15 177.41 3du0 h ASN 233 N -0.26 0.20 0.50 1.72 -1.24 -0.95 -0.83 115.58 114.73 3du0 h ASN 233 Ca 0.01 0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 3du0 h ASN 233 Cb 0.46 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 3du0 h ASN 233 CO 0.01 0.09 -0.27 1.56 -1.29 0.00 0.00 177.43 177.53 3du0 h GLN 234 N 0.39 0.00 -0.03 6.67 1.08 -0.78 0.11 115.11 122.56 3du0 h GLN 234 Ca 0.38 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.40 3du0 h GLN 234 Cb 0.55 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 3du0 h GLN 234 CO -0.39 0.27 -0.75 -0.09 -0.95 0.00 0.00 178.83 176.92 3du0 h ARG 235 N 0.00 0.19 -0.00 1.46 2.43 -1.03 -3.24 114.38 114.19 3du0 h ARG 235 Ca -0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3du0 h ARG 235 Cb 0.59 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3du0 h ARG 235 CO 0.03 0.85 -0.39 1.28 -1.51 0.00 0.00 179.97 180.24 3du0 n LEU 236 N -3.75 0.72 -0.08 3.80 4.77 -0.44 -3.79 117.00 118.23 3du0 n LEU 236 Ca -0.03 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.72 3du0 n LEU 236 Cb 0.72 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3du0 n LEU 236 CO 0.46 0.15 0.65 -0.03 -1.33 0.00 0.00 177.39 177.29 3du0 h MET 237 N 0.52 0.49 -0.80 3.23 4.05 -0.85 0.98 114.93 122.55 3du0 h MET 237 Ca 0.00 -0.22 0.13 0.00 -0.28 0.00 0.00 59.70 59.33 3du0 h MET 237 Cb 0.50 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.20 3du0 h MET 237 CO 0.00 0.77 0.39 -1.35 0.23 0.00 0.00 176.91 176.95 3du0 h PRO 238 N 0.19 0.56 -0.03 0.39 0.11 -1.80 -1.71 132.00 129.72 3du0 h PRO 238 Ca 0.05 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.15 3du0 h PRO 238 Cb 0.64 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 3du0 h PRO 238 CO 0.04 0.37 -0.12 1.25 -0.21 0.00 0.00 178.00 179.33 3du0 h LEU 239 N 0.58 -0.34 -1.42 2.35 5.85 -1.64 0.11 115.31 120.79 3du0 h LEU 239 Ca 0.43 0.06 0.34 0.00 0.84 0.00 0.00 57.88 59.54 3du0 h LEU 239 Cb 0.59 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 3du0 h LEU 239 CO -0.35 -0.16 0.75 0.45 -0.34 0.00 0.00 178.44 178.79 3du0 h HIS 240 N -0.18 0.56 0.00 1.25 3.86 0.06 -1.61 115.15 119.08 3du0 h HIS 240 Ca 0.05 0.02 -0.26 0.00 -1.16 0.00 0.00 60.37 59.02 3du0 h HIS 240 Cb 0.25 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 3du0 h HIS 240 CO -0.19 -0.05 -1.50 0.09 0.86 0.00 0.00 177.93 177.14 3du0 n ASN 241 N -4.63 1.88 0.15 2.45 5.03 -0.86 -4.38 115.26 114.90 3du0 n ASN 241 Ca 0.30 0.42 0.13 0.00 0.87 0.00 0.00 54.58 56.29 3du0 n ASN 241 Cb 1.12 -0.92 0.53 0.00 -1.02 0.00 0.00 39.78 39.48 3du0 n ASN 241 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 3du0 h LYS 242 N -1.00 0.00 0.00 3.52 1.79 -0.67 -1.36 116.57 118.85 3du0 h LYS 242 Ca -0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3du0 h LYS 242 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3du0 h LYS 242 CO -0.24 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.41 3du0 n LEU 243 N -2.34 0.00 -0.06 2.94 4.77 -0.62 -2.01 117.00 119.68 3du0 n LEU 243 Ca 0.02 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 3du0 n LEU 243 Cb 0.23 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3du0 n LEU 243 CO 0.20 -0.01 0.48 0.49 -1.33 0.00 0.00 177.39 177.22 3du0 n PHE 244 N -1.02 0.00 -0.24 -1.77 3.72 -0.51 -4.45 117.46 113.19 3du0 n PHE 244 Ca 0.12 -0.57 0.08 0.00 -0.05 0.00 0.00 57.45 57.03 3du0 n PHE 244 Cb 0.06 -0.08 0.34 0.00 -0.94 0.00 0.00 39.48 38.87 3du0 n PHE 244 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3du0 h VAL 245 N 0.85 0.95 -2.72 -4.37 3.04 -1.43 -3.41 116.25 109.16 3du0 h VAL 245 Ca 0.00 -0.27 -0.48 0.00 -1.01 0.00 0.00 66.70 64.94 3du0 h VAL 245 Cb 0.78 0.11 -0.14 0.00 -2.01 0.00 0.00 31.29 30.03 3du0 h VAL 245 CO 0.00 0.14 -0.67 -1.61 -1.01 0.00 0.00 177.57 174.43 3du0 s GLU 246 N -5.71 1.54 0.06 4.17 2.02 -1.26 -5.07 118.70 114.44 3du0 s GLU 246 Ca -0.10 -1.79 -0.35 0.00 0.02 0.00 0.00 54.97 52.76 3du0 s GLU 246 Cb 0.21 -1.08 -0.14 0.00 0.10 0.00 0.00 34.13 33.22 3du0 s GLU 246 CO 0.78 0.00 1.65 -2.30 0.02 0.00 0.00 175.26 175.42 3du0 n PRO 247 N -0.58 2.01 -1.72 0.39 -0.02 -1.26 -4.44 135.00 129.38 3du0 n PRO 247 Ca -0.05 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 3du0 n PRO 247 Cb 0.64 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3du0 n PRO 247 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3du0 n ASN 248 N 4.34 3.53 -2.19 2.55 5.15 -1.26 0.14 115.26 127.52 3du0 n ASN 248 Ca 0.19 1.14 -0.28 0.00 -0.60 0.00 0.00 54.58 55.04 3du0 n ASN 248 Cb 0.27 -1.54 0.13 0.00 -0.53 0.00 0.00 39.78 38.11 3du0 n ASN 248 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3du0 n PRO 249 N 2.14 2.50 0.29 1.20 -0.04 -1.26 -4.92 135.00 134.90 3du0 n PRO 249 Ca 0.10 -3.22 -0.16 0.00 -0.04 0.00 0.00 63.50 60.17 3du0 n PRO 249 Cb 0.35 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.52 3du0 n PRO 249 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3du0 h ILE 250 N 1.06 0.43 -0.29 0.52 2.04 -0.58 -2.16 117.51 118.54 3du0 h ILE 250 Ca 0.58 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.47 3du0 h ILE 250 Cb 1.75 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3du0 h ILE 250 CO 1.27 0.00 0.10 -0.65 0.00 0.00 0.00 178.15 178.87 3du0 h PRO 251 N -0.72 0.23 0.00 2.37 0.11 -1.78 -2.88 132.00 129.32 3du0 h PRO 251 Ca -0.06 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 3du0 h PRO 251 Cb 0.58 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3du0 h PRO 251 CO 0.08 0.15 -0.45 -0.24 -0.21 0.00 0.00 178.00 177.34 3du0 h VAL 252 N 0.23 1.14 -0.30 3.15 3.04 -1.77 -1.39 116.25 120.36 3du0 h VAL 252 Ca 0.13 -1.62 -0.09 0.00 -1.01 0.00 0.00 66.70 64.10 3du0 h VAL 252 Cb 0.10 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 3du0 h VAL 252 CO -0.13 0.44 -0.18 0.11 -1.01 0.00 0.00 177.57 176.80 3du0 h LYS 253 N 0.00 0.65 -0.52 4.17 1.57 -1.38 -0.52 116.57 120.53 3du0 h LYS 253 Ca -0.00 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3du0 h LYS 253 Cb 0.88 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3du0 h LYS 253 CO 0.06 0.89 0.28 2.35 -0.57 0.00 0.00 179.45 182.46 3du0 h TRP 254 N 0.40 0.53 -0.62 -1.35 7.01 -1.27 -1.86 115.95 118.78 3du0 h TRP 254 Ca 0.06 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.09 3du0 h TRP 254 Cb 0.71 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 3du0 h TRP 254 CO 0.06 0.28 0.41 0.00 -2.79 0.00 0.00 178.44 176.39 3du0 h ALA 255 N 1.26 0.79 -0.82 2.65 0.00 -1.08 0.24 119.26 122.31 3du0 h ALA 255 Ca 0.22 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3du0 h ALA 255 Cb 0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3du0 h ALA 255 CO -0.13 0.20 0.50 0.00 0.00 0.00 0.00 179.25 179.81 3du0 h LYS 257 N 0.92 0.64 -0.70 0.00 3.64 -0.62 -0.74 116.57 119.71 3du0 h LYS 257 Ca 0.36 -0.37 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3du0 h LYS 257 Cb 0.16 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3du0 h LYS 257 CO -0.17 0.98 0.46 1.49 -2.27 0.00 0.00 179.45 179.94 3du0 h GLU 258 N 0.35 0.72 -0.00 1.90 4.57 -0.20 -1.92 114.58 120.00 3du0 h GLU 258 Ca 0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3du0 h GLU 258 Cb 0.90 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3du0 h GLU 258 CO 0.07 0.48 -0.11 1.28 -1.18 0.00 0.00 179.01 179.55 3du0 n LEU 259 N -4.48 0.27 0.00 1.64 4.77 -0.15 -4.90 117.00 114.15 3du0 n LEU 259 Ca 0.10 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3du0 n LEU 259 Cb 0.21 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3du0 n LEU 259 CO 0.34 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3du0 n GLY 260 N 1.36 0.75 0.14 -0.72 0.00 -0.72 -4.94 105.19 101.05 3du0 n GLY 260 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3du0 n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3du0 h LEU 261 N 0.00 0.00 -8.39 0.99 3.38 -1.37 -3.46 115.31 106.47 3du0 h LEU 261 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3du0 h LEU 261 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 3du0 h LEU 261 CO 0.00 0.36 -0.73 0.68 0.09 0.00 0.00 178.44 178.84 3du0 s VAL 262 N -3.06 0.80 0.05 1.22 -7.23 -1.15 -4.30 120.40 106.73 3du0 s VAL 262 Ca 0.02 -1.58 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 3du0 s VAL 262 Cb 0.08 -1.26 -0.17 0.00 0.56 0.00 0.00 36.38 35.58 3du0 s VAL 262 CO 0.76 -0.59 1.25 0.00 -0.31 0.00 0.00 175.10 176.21 3du0 h ALA 263 N 3.64 0.22 -3.04 1.32 0.00 -1.90 -3.40 119.26 116.10 3du0 h ALA 263 Ca -0.37 -0.50 -0.27 0.00 0.00 0.00 0.00 54.91 53.78 3du0 h ALA 263 Cb 1.19 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 3du0 h ALA 263 CO 0.53 0.39 -0.73 0.95 0.00 0.00 0.00 179.25 180.39 3du0 s THR 264 N -3.75 0.56 -0.40 0.00 -4.23 -1.26 -5.03 115.64 101.53 3du0 s THR 264 Ca -0.13 -1.19 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 3du0 s THR 264 Cb 0.06 -0.75 0.59 0.00 1.34 0.00 0.00 72.50 73.73 3du0 s THR 264 CO 0.83 -0.45 1.53 -0.90 -0.54 0.00 0.00 174.62 175.09 3du0 n ASP 265 N 1.26 4.27 -4.73 3.99 5.75 -1.26 -4.45 116.55 121.38 3du0 n ASP 265 Ca -0.21 -2.87 -0.42 0.00 -0.01 0.00 0.00 54.79 51.27 3du0 n ASP 265 Cb 0.55 -0.68 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 3du0 n ASP 265 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3du0 n THR 266 N 0.08 1.65 -4.47 2.12 -1.04 -1.26 -4.73 114.28 106.63 3du0 n THR 266 Ca 0.29 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.05 61.66 3du0 n THR 266 Cb 1.11 -1.79 -0.10 0.00 -1.82 0.00 0.00 70.33 67.72 3du0 n THR 266 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3du0 s LEU 267 N -1.13 2.23 -0.15 -4.42 1.43 -1.26 -4.39 118.68 110.99 3du0 s LEU 267 Ca 0.58 -1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 3du0 s LEU 267 Cb -0.53 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3du0 s LEU 267 CO 0.58 -0.62 0.14 -0.13 0.23 0.00 0.00 176.35 176.56 3du0 s ARG 268 N -3.87 3.78 0.31 1.70 0.52 -1.26 -4.88 118.95 115.25 3du0 s ARG 268 Ca 0.35 -0.16 -0.28 0.00 -0.52 0.00 0.00 55.73 55.13 3du0 s ARG 268 Cb 0.08 -3.29 -0.13 0.00 0.52 0.00 0.00 34.95 32.13 3du0 s ARG 268 CO 0.15 0.57 1.13 1.28 0.02 0.00 0.00 175.30 178.46 3du0 n LEU 269 N 2.65 2.56 -0.31 2.53 4.77 -1.26 -0.97 117.00 126.97 3du0 n LEU 269 Ca -0.18 1.19 0.02 0.00 -0.03 0.00 0.00 56.01 57.01 3du0 n LEU 269 Cb 0.54 -1.37 0.06 0.00 -2.33 0.00 0.00 43.42 40.31 3du0 n LEU 269 CO 0.34 -1.00 0.52 -0.81 -1.33 0.00 0.00 177.39 175.11 3du0 n PRO 270 N 0.65 1.35 -2.82 3.23 -0.04 -1.26 -4.98 135.00 131.14 3du0 n PRO 270 Ca 0.07 -0.48 -0.39 0.00 -0.04 0.00 0.00 63.50 62.67 3du0 n PRO 270 Cb 0.34 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 3du0 n PRO 270 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3du0 s MET 271 N -1.75 4.74 0.20 0.54 -1.94 -0.15 -5.05 119.30 115.88 3du0 s MET 271 Ca 0.09 1.37 0.10 0.00 -1.71 0.00 0.00 55.69 55.53 3du0 s MET 271 Cb 0.05 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 3du0 s MET 271 CO 0.05 0.50 -0.19 0.95 -0.01 0.00 0.00 175.02 176.32 3du0 s THR 272 N -1.24 2.04 0.45 2.05 -4.23 -1.26 -4.53 115.64 108.92 3du0 s THR 272 Ca 0.41 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.61 3du0 s THR 272 Cb -0.24 -2.02 -0.10 0.00 1.34 0.00 0.00 72.50 71.49 3du0 s THR 272 CO 0.29 -0.33 1.01 -2.65 -0.54 0.00 0.00 174.62 172.40 3du0 n PRO 273 N 0.02 1.31 -1.63 3.99 -0.02 -1.26 -4.89 135.00 132.53 3du0 n PRO 273 Ca -0.11 0.47 -0.44 0.00 -2.02 0.00 0.00 63.50 61.40 3du0 n PRO 273 Cb 0.58 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 3du0 n PRO 273 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3du0 n ILE 274 N -0.67 1.85 -1.66 4.25 3.06 -1.26 -4.98 119.36 119.95 3du0 n ILE 274 Ca 0.10 -0.46 -0.32 0.00 -2.50 0.00 0.00 62.75 59.57 3du0 n ILE 274 Cb 0.40 -1.19 0.05 0.00 0.54 0.00 0.00 39.64 39.44 3du0 n ILE 274 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3du0 s THR 275 N -0.94 3.81 0.29 9.51 -4.23 -1.26 -4.88 115.64 117.95 3du0 s THR 275 Ca 0.59 0.67 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 3du0 s THR 275 Cb -0.67 -3.30 0.29 0.00 1.34 0.00 0.00 72.50 70.16 3du0 s THR 275 CO 0.59 -0.69 1.87 0.44 -0.54 0.00 0.00 174.62 176.30 3du0 h ASP 276 N -0.42 0.91 0.05 3.99 3.32 -2.00 -0.22 116.42 122.05 3du0 h ASP 276 Ca -0.45 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 3du0 h ASP 276 Cb 1.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3du0 h ASP 276 CO 0.56 0.53 -0.43 -1.28 -1.72 0.00 0.00 179.24 176.90 3du0 h SER 277 N 1.01 0.50 -0.30 6.45 0.87 -2.00 -2.89 113.55 117.19 3du0 h SER 277 Ca 0.45 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3du0 h SER 277 Cb 0.37 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3du0 h SER 277 CO -0.21 0.87 0.16 1.23 -0.53 0.00 0.00 176.83 178.36 3du0 h GLY 278 N 1.12 0.45 -0.23 5.77 0.00 -1.72 -2.34 103.07 106.12 3du0 h GLY 278 Ca 0.03 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.21 3du0 h GLY 278 CO 0.08 0.20 -0.47 3.21 0.00 0.00 0.00 176.54 179.55 3du0 h ARG 279 N 0.37 -0.40 -0.86 4.80 3.08 -0.98 -0.73 114.38 119.66 3du0 h ARG 279 Ca 0.11 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3du0 h ARG 279 Cb 0.06 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3du0 h ARG 279 CO -0.02 -0.27 0.48 0.93 -1.07 0.00 0.00 179.97 180.03 3du0 h GLU 280 N -0.41 1.19 -0.24 0.04 4.39 -1.50 0.28 114.58 118.33 3du0 h GLU 280 Ca 0.10 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.71 3du0 h GLU 280 Cb 0.61 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3du0 h GLU 280 CO -0.52 0.87 -0.01 1.15 -1.16 0.00 0.00 179.01 179.33 3du0 h THR 281 N 1.20 0.81 -0.08 1.13 2.02 -1.11 -0.83 112.91 116.05 3du0 h THR 281 Ca 0.30 -0.02 -0.18 0.00 0.77 0.00 0.00 66.41 67.29 3du0 h THR 281 Cb 0.01 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3du0 h THR 281 CO -0.05 0.01 -0.70 0.58 0.37 0.00 0.00 175.52 175.73 3du0 h VAL 282 N 0.06 1.39 -0.20 3.16 2.07 -0.26 -2.51 116.25 119.96 3du0 h VAL 282 Ca 0.12 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 3du0 h VAL 282 Cb 0.15 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3du0 h VAL 282 CO -0.20 0.64 0.12 -0.09 0.02 0.00 0.00 177.57 178.05 3du0 h ARG 283 N 0.25 0.27 -0.67 1.57 2.43 -0.40 -0.57 114.38 117.26 3du0 h ARG 283 Ca -0.02 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.25 3du0 h ARG 283 Cb 1.27 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 3du0 h ARG 283 CO 0.12 0.23 0.16 0.00 -1.51 0.00 0.00 179.97 178.97 3du0 h ALA 284 N 1.03 0.83 -0.38 2.80 0.00 -1.01 -1.24 119.26 121.29 3du0 h ALA 284 Ca 0.07 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3du0 h ALA 284 Cb 0.03 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3du0 h ALA 284 CO -0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 179.25 178.62 3du0 h ALA 285 N 1.54 0.73 -0.86 0.00 0.00 -1.04 -0.79 119.26 118.84 3du0 h ALA 285 Ca 0.36 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3du0 h ALA 285 Cb 0.57 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3du0 h ALA 285 CO -0.44 0.66 0.49 -0.07 0.00 0.00 0.00 179.25 179.89 3du0 h LEU 286 N 0.71 1.05 -0.01 0.00 3.38 -0.71 -2.32 115.31 117.41 3du0 h LEU 286 Ca 0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3du0 h LEU 286 Cb 0.87 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3du0 h LEU 286 CO 0.08 0.82 0.00 0.50 0.09 0.00 0.00 178.44 179.93 3du0 h LYS 287 N 1.18 0.01 -0.93 1.13 3.64 -0.86 -1.26 116.57 119.48 3du0 h LYS 287 Ca 0.30 -0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.94 3du0 h LYS 287 Cb -0.01 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3du0 h LYS 287 CO -0.05 0.23 0.66 1.25 -2.27 0.00 0.00 179.45 179.26 3du0 h HIS 288 N -0.22 0.15 -0.01 1.91 2.76 -1.06 0.28 115.15 118.95 3du0 h HIS 288 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3du0 h HIS 288 Cb 0.23 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3du0 h HIS 288 CO 0.00 0.03 -0.07 0.00 -1.30 0.00 0.00 177.93 176.59 3du0 n ALA 289 N -2.66 2.71 -1.80 5.26 0.00 -0.88 -4.85 120.51 118.28 3du0 n ALA 289 Ca 0.20 -0.45 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 3du0 n ALA 289 Cb 0.93 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 3du0 n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3du0 n GLY 290 N 1.23 0.35 0.05 0.00 0.00 0.98 -4.93 105.19 102.87 3du0 n GLY 290 Ca 0.17 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.48 3du0 n GLY 290 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3du0 n LEU 291 N -0.70 0.00 -0.51 0.99 4.77 -0.51 -5.03 117.00 116.01 3du0 n LEU 291 Ca -0.06 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.99 3du0 n LEU 291 Cb 0.43 0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.80 3du0 n LEU 291 CO 0.07 0.22 0.45 0.18 -1.33 0.00 0.00 177.39 176.99