#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du4 h THR 2 N 0.00 0.96 -0.17 1.12 2.02 -2.00 -3.07 112.91 111.77 3du4 h THR 2 Ca 0.00 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3du4 h THR 2 Cb 0.00 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3du4 h THR 2 CO 0.00 0.06 0.11 -0.74 0.37 0.00 0.00 175.52 175.33 3du4 h HIS 3 N -0.26 0.12 0.00 3.16 2.76 -2.00 -1.36 115.15 117.58 3du4 h HIS 3 Ca -0.01 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.93 3du4 h HIS 3 Cb 0.21 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 3du4 h HIS 3 CO -0.03 0.07 -1.68 -0.40 -1.30 0.00 0.00 177.93 174.59 3du4 n ASP 4 N -4.51 0.71 -0.34 3.26 5.68 -1.23 -2.19 116.55 117.93 3du4 n ASP 4 Ca 0.00 0.32 -0.03 0.00 -0.50 0.00 0.00 54.79 54.58 3du4 n ASP 4 Cb 0.15 0.28 0.09 0.00 -1.14 0.00 0.00 41.12 40.50 3du4 n ASP 4 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3du4 h LEU 5 N 0.00 1.10 -1.19 -2.12 7.12 -1.41 0.13 115.31 118.94 3du4 h LEU 5 Ca -0.25 -0.06 -0.04 0.00 0.13 0.00 0.00 57.88 57.66 3du4 h LEU 5 Cb 1.80 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 41.63 3du4 h LEU 5 CO 0.05 0.84 0.13 0.40 -0.13 0.00 0.00 178.44 179.73 3du4 h ILE 6 N 1.27 1.20 0.00 4.05 2.04 -1.26 -1.69 117.51 123.11 3du4 h ILE 6 Ca 0.33 -0.69 -0.18 0.00 1.00 0.00 0.00 64.86 65.32 3du4 h ILE 6 Cb -0.07 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3du4 h ILE 6 CO -0.06 0.26 -0.97 -0.33 0.00 0.00 0.00 178.15 177.04 3du4 h GLU 7 N 0.68 0.00 -0.56 2.37 4.39 -0.95 -2.98 114.58 117.53 3du4 h GLU 7 Ca 0.16 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3du4 h GLU 7 Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3du4 h GLU 7 CO -0.01 0.73 0.08 0.87 -1.16 0.00 0.00 179.01 179.52 3du4 h LYS 8 N 0.00 0.91 -0.26 2.33 6.56 -0.54 -2.64 116.57 122.94 3du4 h LYS 8 Ca -0.05 -0.23 -0.13 0.00 -1.06 0.00 0.00 60.65 59.18 3du4 h LYS 8 Cb 1.67 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 33.20 3du4 h LYS 8 CO 0.10 0.86 -0.37 0.66 -2.06 0.00 0.00 179.45 178.63 3du4 h SER 9 N 0.86 0.61 1.14 0.86 4.64 -1.24 -0.93 113.55 119.49 3du4 h SER 9 Ca 0.17 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3du4 h SER 9 Cb 0.40 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3du4 h SER 9 CO 0.01 0.92 -0.05 0.11 -0.87 0.00 0.00 176.83 176.95 3du4 h LYS 10 N 0.48 0.00 0.06 4.77 1.57 -1.46 -3.04 116.57 118.96 3du4 h LYS 10 Ca 0.05 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.45 3du4 h LYS 10 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3du4 h LYS 10 CO 0.07 0.05 -2.17 1.17 -0.57 0.00 0.00 179.45 178.01 3du4 n LYS 11 N -3.16 0.70 0.00 3.15 4.81 -0.96 -4.71 118.16 117.99 3du4 n LYS 11 Ca 0.01 0.24 0.03 0.00 -0.87 0.00 0.00 58.31 57.72 3du4 n LYS 11 Cb 0.37 -1.63 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 3du4 n LYS 11 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3du4 n HIS 12 N -3.49 0.00 -3.91 5.64 8.25 -0.39 -5.04 115.22 116.27 3du4 n HIS 12 Ca -0.39 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.75 3du4 n HIS 12 Cb 0.99 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.06 3du4 n HIS 12 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3du4 s LEU 13 N -2.27 4.36 -0.19 2.41 1.43 -1.15 -5.08 118.68 118.19 3du4 s LEU 13 Ca 0.03 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3du4 s LEU 13 Cb 0.06 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.53 3du4 s LEU 13 CO 0.29 0.21 -0.04 0.86 0.23 0.00 0.00 176.35 177.91 3du4 s TRP 14 N -1.42 1.81 0.33 0.29 -0.11 -1.26 -4.90 118.94 113.67 3du4 s TRP 14 Ca 0.31 -1.27 -0.03 0.00 1.22 0.00 0.00 56.10 56.33 3du4 s TRP 14 Cb -0.13 -1.35 -0.04 0.00 -1.50 0.00 0.00 33.47 30.45 3du4 s TRP 14 CO 0.24 -0.67 0.58 -0.51 -4.62 0.00 0.00 176.95 171.96 3du4 s LEU 15 N 1.59 4.00 0.22 5.86 1.43 -1.26 -5.06 118.68 125.46 3du4 s LEU 15 Ca -0.02 0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 3du4 s LEU 15 Cb -0.17 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3du4 s LEU 15 CO -0.07 -0.27 1.26 -2.16 0.23 0.00 0.00 176.35 175.34 3du4 s PRO 16 N -3.91 4.44 -0.87 1.29 0.04 -1.26 -3.62 135.00 131.11 3du4 s PRO 16 Ca 0.43 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 3du4 s PRO 16 Cb -0.10 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.29 3du4 s PRO 16 CO 0.33 -0.15 0.21 1.19 0.04 0.00 0.00 177.00 178.62 3du4 n PHE 17 N 2.20 -1.69 -4.46 0.56 3.72 -1.26 -4.94 117.46 111.59 3du4 n PHE 17 Ca 0.04 0.21 -0.22 0.00 -0.05 0.00 0.00 57.45 57.43 3du4 n PHE 17 Cb 0.43 -2.18 -0.16 0.00 -0.94 0.00 0.00 39.48 36.63 3du4 n PHE 17 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3du4 s THR 18 N -2.58 0.92 -0.23 4.37 -4.23 -1.24 -5.09 115.64 107.57 3du4 s THR 18 Ca 0.20 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 60.02 3du4 s THR 18 Cb -0.11 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 3du4 s THR 18 CO 0.25 0.30 1.41 -1.58 -0.54 0.00 0.00 174.62 174.45 3du4 s GLN 19 N 0.47 3.96 0.53 3.99 2.00 -1.26 -4.75 119.66 124.59 3du4 s GLN 19 Ca -0.09 1.52 0.34 0.00 -2.00 0.00 0.00 55.36 55.13 3du4 s GLN 19 Cb -0.12 -3.91 1.47 0.00 0.80 0.00 0.00 33.01 31.25 3du4 s GLN 19 CO 0.02 -1.07 2.00 0.52 -0.50 0.00 0.00 175.29 176.25 3du4 h MET 20 N 9.54 0.00 -0.33 1.67 2.86 -1.98 -1.46 114.93 125.22 3du4 h MET 20 Ca -0.29 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.22 3du4 h MET 20 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3du4 h MET 20 CO 1.01 0.00 -0.30 -0.22 1.06 0.00 0.00 176.91 178.45 3du4 h LYS 21 N 0.00 0.71 -0.57 1.72 3.64 -1.99 0.11 116.57 120.19 3du4 h LYS 21 Ca 0.00 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 58.99 3du4 h LYS 21 Cb 0.41 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3du4 h LYS 21 CO 0.00 0.92 0.05 -0.44 -2.27 0.00 0.00 179.45 177.71 3du4 h ASP 22 N 0.60 0.93 0.27 4.20 3.45 -1.68 -2.40 116.42 121.79 3du4 h ASP 22 Ca 0.07 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 3du4 h ASP 22 Cb 0.81 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3du4 h ASP 22 CO 0.07 0.98 -0.13 0.22 -1.57 0.00 0.00 179.24 178.81 3du4 h TYR 23 N 0.85 -0.33 -0.64 4.55 3.20 -1.25 -2.59 116.97 120.77 3du4 h TYR 23 Ca 0.17 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.14 3du4 h TYR 23 Cb 0.47 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 3du4 h TYR 23 CO 0.03 -0.11 0.19 -0.44 -1.64 0.00 0.00 178.16 176.19 3du4 h ASP 24 N -0.50 0.11 -0.13 -2.11 3.45 -0.77 -0.14 116.42 116.34 3du4 h ASP 24 Ca -0.04 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 3du4 h ASP 24 Cb 0.37 0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3du4 h ASP 24 CO 0.06 0.06 0.06 -0.08 -1.57 0.00 0.00 179.24 177.77 3du4 h GLU 25 N 0.33 0.24 -1.80 3.56 4.57 -1.40 -3.35 114.58 116.72 3du4 h GLU 25 Ca 0.34 -0.02 -0.51 0.00 -1.18 0.00 0.00 59.36 57.98 3du4 h GLU 25 Cb 0.49 -0.05 -0.37 0.00 -0.16 0.00 0.00 28.75 28.66 3du4 h GLU 25 CO -0.38 0.21 -1.07 0.09 -1.18 0.00 0.00 179.01 176.68 3du4 n ASN 26 N -4.46 0.01 -4.78 1.04 3.02 -0.18 -5.11 115.26 104.81 3du4 n ASN 26 Ca -0.00 -2.82 -0.34 0.00 -0.03 0.00 0.00 54.58 51.38 3du4 n ASN 26 Cb 0.12 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 3du4 n ASN 26 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3du4 s PRO 27 N -1.26 3.13 -0.24 3.52 0.04 -0.51 -4.76 135.00 134.92 3du4 s PRO 27 Ca 0.35 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.79 3du4 s PRO 27 Cb 0.21 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.89 3du4 s PRO 27 CO -0.11 -1.00 0.48 -1.17 0.04 0.00 0.00 177.00 175.24 3du4 s LEU 28 N -4.34 -0.85 -0.24 -3.56 2.96 -1.26 -5.11 118.68 106.28 3du4 s LEU 28 Ca 0.69 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 55.51 3du4 s LEU 28 Cb -0.21 1.60 0.04 0.00 0.50 0.00 0.00 46.19 48.12 3du4 s LEU 28 CO 0.34 -0.25 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.38 3du4 s ILE 29 N 2.69 2.36 0.16 6.68 1.01 -1.26 -5.11 121.20 127.73 3du4 s ILE 29 Ca 0.05 -1.31 -0.26 0.00 0.00 0.00 0.00 60.65 59.13 3du4 s ILE 29 Cb -0.13 -2.24 -0.08 0.00 0.01 0.00 0.00 42.46 40.01 3du4 s ILE 29 CO -0.16 0.16 0.78 -0.63 0.00 0.00 0.00 174.94 175.10 3du4 s ILE 30 N 1.21 4.39 -0.11 2.92 -1.09 -1.26 -1.96 121.20 125.30 3du4 s ILE 30 Ca -0.03 1.72 0.01 0.00 -2.23 0.00 0.00 60.65 60.11 3du4 s ILE 30 Cb -0.17 -4.15 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 3du4 s ILE 30 CO -0.07 0.50 -0.10 1.21 -1.23 0.00 0.00 174.94 175.26 3du4 n GLU 31 N 1.72 0.28 -3.96 2.79 2.13 0.83 -4.87 120.64 119.57 3du4 n GLU 31 Ca -0.05 0.07 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 3du4 n GLU 31 Cb 0.49 -1.22 -0.04 0.00 0.27 0.00 0.00 31.44 30.94 3du4 n GLU 31 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3du4 s SER 32 N -5.13 -0.08 0.02 4.31 1.04 -1.12 -5.01 113.70 107.72 3du4 s SER 32 Ca -0.15 -0.88 -0.08 0.00 0.48 0.00 0.00 55.95 55.32 3du4 s SER 32 Cb 0.04 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3du4 s SER 32 CO 0.26 -1.23 0.15 -0.83 0.98 0.00 0.00 173.24 172.57 3du4 s GLY 33 N -3.01 0.05 -0.06 7.32 0.00 -1.26 -0.71 107.32 109.65 3du4 s GLY 33 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 3du4 s GLY 33 CO 0.09 -0.36 0.12 -1.59 0.00 0.00 0.00 173.10 171.36 3du4 s THR 34 N -1.84 -0.17 0.00 0.90 2.01 0.20 -4.17 115.64 112.57 3du4 s THR 34 Ca -0.11 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.24 3du4 s THR 34 Cb -0.05 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.24 3du4 s THR 34 CO -0.00 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 3du4 n GLY 35 N 5.11 3.15 1.23 4.40 0.00 -1.04 -1.97 105.19 116.07 3du4 n GLY 35 Ca -0.08 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.88 3du4 n GLY 35 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3du4 n ILE 36 N 0.00 1.35 -4.83 -0.61 -5.35 -1.26 0.55 119.36 109.20 3du4 n ILE 36 Ca 0.00 -0.84 -0.31 0.00 -0.27 0.00 0.00 62.75 61.33 3du4 n ILE 36 Cb 0.00 -0.03 -0.14 0.00 -1.74 0.00 0.00 39.64 37.73 3du4 n ILE 36 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3du4 s LYS 37 N -1.80 2.10 0.22 6.28 1.02 -0.83 -0.59 119.74 126.13 3du4 s LYS 37 Ca 0.36 -0.95 0.09 0.00 0.02 0.00 0.00 55.97 55.49 3du4 s LYS 37 Cb 0.24 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 3du4 s LYS 37 CO 0.17 0.55 -0.08 0.14 -0.92 0.00 0.00 175.35 175.21 3du4 s VAL 38 N -0.83 3.20 -0.05 3.17 -7.23 -0.42 -0.63 120.40 117.61 3du4 s VAL 38 Ca 0.13 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3du4 s VAL 38 Cb -0.10 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.21 3du4 s VAL 38 CO 0.03 -0.22 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.73 3du4 s LYS 39 N -3.17 1.48 0.86 4.82 2.20 0.11 -0.68 119.74 125.36 3du4 s LYS 39 Ca 0.27 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.39 3du4 s LYS 39 Cb -0.08 -1.28 0.17 0.00 -1.51 0.00 0.00 37.83 35.14 3du4 s LYS 39 CO 0.17 0.08 1.19 0.16 -0.36 0.00 0.00 175.35 176.59 3du4 s ASP 40 N 0.45 3.61 0.09 1.43 1.47 -0.43 -0.12 116.67 123.17 3du4 s ASP 40 Ca -0.10 -0.02 0.19 0.00 1.18 0.00 0.00 52.55 53.80 3du4 s ASP 40 Cb -0.13 -0.15 0.79 0.00 -0.34 0.00 0.00 42.92 43.09 3du4 s ASP 40 CO 0.02 -2.38 1.59 2.30 0.68 0.00 0.00 175.17 177.38 3du4 n ILE 41 N -3.38 0.85 1.08 2.11 -5.35 -0.83 -0.95 119.36 112.90 3du4 n ILE 41 Ca 0.15 0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.95 3du4 n ILE 41 Cb 0.60 -0.99 0.34 0.00 -1.74 0.00 0.00 39.64 37.85 3du4 n ILE 41 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3du4 n ASN 42 N -1.76 2.16 0.00 7.28 5.03 -1.26 -4.94 115.26 121.77 3du4 n ASN 42 Ca 0.03 -1.76 0.00 0.00 0.87 0.00 0.00 54.58 53.73 3du4 n ASN 42 Cb 0.21 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3du4 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3du4 n GLY 43 N 1.24 0.81 3.74 7.41 0.00 -0.12 -5.05 105.19 113.23 3du4 n GLY 43 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3du4 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3du4 s LYS 44 N -0.35 4.49 -0.03 1.61 2.20 -1.26 -4.76 119.74 121.64 3du4 s LYS 44 Ca 0.00 1.86 -0.02 0.00 -0.36 0.00 0.00 55.97 57.45 3du4 s LYS 44 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3du4 s LYS 44 CO 0.00 -0.09 0.11 -1.21 -0.36 0.00 0.00 175.35 173.80 3du4 s GLU 45 N -0.14 3.22 -0.01 4.03 2.02 -1.26 -1.31 118.70 125.25 3du4 s GLU 45 Ca 0.53 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.16 3du4 s GLU 45 Cb -0.32 -2.97 -0.00 0.00 0.10 0.00 0.00 34.13 30.93 3du4 s GLU 45 CO 0.36 0.68 -0.06 0.71 0.02 0.00 0.00 175.26 176.97 3du4 s TYR 46 N -1.18 0.56 0.31 1.61 1.51 0.14 -4.69 117.35 115.62 3du4 s TYR 46 Ca 0.22 -0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.88 3du4 s TYR 46 Cb -0.12 -0.39 -0.10 0.00 -0.11 0.00 0.00 41.96 41.24 3du4 s TYR 46 CO 0.13 -0.03 1.37 0.71 -1.11 0.00 0.00 175.55 176.62 3du4 s TYR 47 N -0.01 2.97 -1.24 2.71 1.51 0.66 -1.31 117.35 122.65 3du4 s TYR 47 Ca 0.01 1.27 -0.13 0.00 -1.01 0.00 0.00 57.07 57.21 3du4 s TYR 47 Cb -0.04 -3.77 0.16 0.00 -0.11 0.00 0.00 41.96 38.20 3du4 s TYR 47 CO -0.00 -2.25 1.60 -3.47 -1.11 0.00 0.00 175.55 170.31 3du4 n ASP 48 N 1.19 5.15 -0.04 2.29 2.03 0.24 -0.87 116.55 126.54 3du4 n ASP 48 Ca 0.02 -3.01 0.14 0.00 0.52 0.00 0.00 54.79 52.46 3du4 n ASP 48 Cb 0.41 -1.55 0.63 0.00 -0.72 0.00 0.00 41.12 39.89 3du4 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3du4 n GLY 49 N 3.75 -1.20 0.51 0.27 0.00 -0.55 -2.79 105.19 105.19 3du4 n GLY 49 Ca 0.39 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3du4 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3du4 n PHE 50 N -1.22 0.44 -3.67 1.61 -0.00 -0.97 -1.32 117.46 112.34 3du4 n PHE 50 Ca 0.12 -1.06 -0.27 0.00 -0.00 0.00 0.00 57.45 56.24 3du4 n PHE 50 Cb 0.28 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.48 39.50 3du4 n PHE 50 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3du4 n SER 51 N -1.05 -3.40 -3.67 5.98 7.64 -0.70 -0.04 113.62 118.37 3du4 n SER 51 Ca 0.20 -0.59 -0.23 0.00 1.01 0.00 0.00 58.87 59.26 3du4 n SER 51 Cb 0.77 -2.82 0.05 0.00 -1.01 0.00 0.00 64.21 61.21 3du4 n SER 51 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3du4 n SER 52 N -2.39 -2.92 -2.26 6.43 7.64 -1.26 -0.56 113.62 118.31 3du4 n SER 52 Ca 0.03 -0.72 -0.09 0.00 1.01 0.00 0.00 58.87 59.09 3du4 n SER 52 Cb 0.52 -4.41 0.05 0.00 -1.01 0.00 0.00 64.21 59.35 3du4 n SER 52 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3du4 n VAL 53 N -4.44 -3.16 -1.53 0.44 0.31 0.94 -4.39 118.33 106.50 3du4 n VAL 53 Ca -0.18 -0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 63.86 3du4 n VAL 53 Cb 0.63 -3.82 -0.00 0.00 -0.91 0.00 0.00 33.84 29.73 3du4 n VAL 53 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3du4 n TRP 54 N -2.61 -0.04 0.00 3.52 8.01 0.75 -4.88 117.44 122.19 3du4 n TRP 54 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3du4 n TRP 54 Cb 0.59 -1.01 0.00 0.00 -2.01 0.00 0.00 31.31 28.87 3du4 n TRP 54 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.69 178.15 3du4 n LEU 55 N -0.25 0.00 -4.67 -0.99 -0.00 -0.78 -4.25 117.00 106.06 3du4 n LEU 55 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.56 3du4 n LEU 55 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.67 3du4 n LEU 55 CO 0.03 0.00 0.81 0.21 -0.00 0.00 0.00 177.39 178.43 3du4 s ASN 56 N -1.59 7.10 -0.27 1.45 2.47 0.28 -1.92 114.94 122.46 3du4 s ASN 56 Ca 0.00 1.37 -0.15 0.00 0.42 0.00 0.00 52.86 54.50 3du4 s ASN 56 Cb 0.00 -2.52 -0.12 0.00 -1.45 0.00 0.00 41.25 37.15 3du4 s ASN 56 CO 0.00 -0.54 -0.31 0.52 -3.72 0.00 0.00 177.10 173.05 3du4 n VAL 57 N 4.98 1.53 -0.27 -5.21 0.31 -0.78 -4.25 118.33 114.63 3du4 n VAL 57 Ca 0.09 -0.33 0.07 0.00 -0.01 0.00 0.00 64.34 64.17 3du4 n VAL 57 Cb 0.47 -1.92 0.21 0.00 -0.91 0.00 0.00 33.84 31.69 3du4 n VAL 57 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3du4 n HIS 58 N -4.28 0.64 -1.07 3.52 8.25 -1.26 -1.36 115.22 119.66 3du4 n HIS 58 Ca -0.51 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 3du4 n HIS 58 Cb 0.85 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3du4 n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du4 n GLY 59 N 0.78 -2.57 3.95 -1.41 0.00 -1.26 -4.82 105.19 99.86 3du4 n GLY 59 Ca 0.16 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 3du4 n GLY 59 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3du4 s HIS 60 N -0.60 3.42 -1.49 1.61 0.09 0.19 -4.37 115.29 114.14 3du4 s HIS 60 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 55.06 55.03 3du4 s HIS 60 Cb 0.00 -1.56 0.01 0.00 -0.00 0.00 0.00 32.58 31.03 3du4 s HIS 60 CO 0.00 0.45 0.27 0.54 -0.00 0.00 0.00 174.74 176.00 3du4 n ARG 61 N -1.32 -2.26 -2.26 1.40 1.74 -1.26 -2.50 116.66 110.20 3du4 n ARG 61 Ca -0.09 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 3du4 n ARG 61 Cb 0.57 -4.17 -0.02 0.00 -1.02 0.00 0.00 32.46 27.81 3du4 n ARG 61 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3du4 s LYS 62 N -6.93 3.45 0.22 5.56 2.47 -1.26 -4.83 119.74 118.42 3du4 s LYS 62 Ca 0.06 0.99 -0.12 0.00 -1.56 0.00 0.00 55.97 55.33 3du4 s LYS 62 Cb -0.03 -4.09 0.29 0.00 -1.46 0.00 0.00 37.83 32.54 3du4 s LYS 62 CO 0.94 -1.72 1.61 -0.22 0.16 0.00 0.00 175.35 176.12 3du4 h LYS 63 N 11.43 0.01 -0.51 4.03 3.64 -1.97 0.44 116.57 133.63 3du4 h LYS 63 Ca -0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3du4 h LYS 63 Cb 1.12 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3du4 h LYS 63 CO 1.09 0.00 0.33 0.93 -2.27 0.00 0.00 179.45 179.53 3du4 h GLU 64 N 0.01 0.68 -0.48 1.90 3.07 -1.99 0.60 114.58 118.36 3du4 h GLU 64 Ca 0.34 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 3du4 h GLU 64 Cb 0.53 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3du4 h GLU 64 CO -0.72 0.46 0.21 -0.07 -1.40 0.00 0.00 179.01 177.49 3du4 h LEU 65 N 0.69 0.61 -0.10 1.33 4.07 -1.51 -1.48 115.31 118.92 3du4 h LEU 65 Ca 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 3du4 h LEU 65 Cb -0.06 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 3du4 h LEU 65 CO -0.04 0.54 -0.00 0.44 -1.08 0.00 0.00 178.44 178.30 3du4 h ASP 66 N 0.67 0.17 -0.73 -0.43 3.32 -0.27 -2.97 116.42 116.18 3du4 h ASP 66 Ca 0.17 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3du4 h ASP 66 Cb 0.11 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3du4 h ASP 66 CO -0.02 0.44 0.40 0.44 -1.72 0.00 0.00 179.24 178.79 3du4 h ASP 67 N -0.11 0.92 -0.66 6.45 3.32 -0.56 -2.52 116.42 123.26 3du4 h ASP 67 Ca 0.03 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3du4 h ASP 67 Cb 0.36 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3du4 h ASP 67 CO 0.01 0.75 0.40 0.00 -1.72 0.00 0.00 179.24 178.68 3du4 h ALA 68 N 1.21 0.85 -0.21 3.45 0.00 -1.22 0.75 119.26 124.08 3du4 h ALA 68 Ca 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3du4 h ALA 68 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3du4 h ALA 68 CO -0.04 0.16 -0.21 0.82 0.00 0.00 0.00 179.25 179.97 3du4 h ILE 69 N 0.79 1.33 -0.40 0.00 2.04 -1.40 -2.21 117.51 117.66 3du4 h ILE 69 Ca 0.26 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.81 3du4 h ILE 69 Cb 0.03 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3du4 h ILE 69 CO -0.11 0.42 0.03 0.11 0.00 0.00 0.00 178.15 178.61 3du4 h LYS 70 N 0.19 0.14 -0.96 2.37 1.57 -1.18 -0.15 116.57 118.56 3du4 h LYS 70 Ca 0.03 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3du4 h LYS 70 Cb 0.76 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 3du4 h LYS 70 CO 0.05 0.09 0.62 -0.22 -0.57 0.00 0.00 179.45 179.43 3du4 h LYS 71 N 0.14 1.07 -0.18 3.15 3.64 -0.84 -2.90 116.57 120.65 3du4 h LYS 71 Ca 0.19 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 3du4 h LYS 71 Cb 0.26 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3du4 h LYS 71 CO -0.30 0.71 -0.68 0.37 -2.27 0.00 0.00 179.45 177.29 3du4 h GLN 72 N 1.10 0.71 -1.03 1.90 5.75 -0.73 -2.87 115.11 119.94 3du4 h GLN 72 Ca 0.41 -0.52 0.26 0.00 -0.15 0.00 0.00 58.65 58.65 3du4 h GLN 72 Cb 0.19 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 28.72 3du4 h GLN 72 CO -0.16 1.14 0.63 -0.07 -2.65 0.00 0.00 178.83 177.73 3du4 h LEU 73 N 0.51 0.56 0.00 -2.39 3.38 -0.85 -0.37 115.31 116.16 3du4 h LEU 73 Ca -0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3du4 h LEU 73 Cb 1.28 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3du4 h LEU 73 CO 0.14 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.36 3du4 n GLY 74 N -1.39 -0.69 1.07 0.83 0.00 -1.08 -3.92 105.19 100.00 3du4 n GLY 74 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3du4 n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du4 n LYS 75 N -1.05 0.00 -3.61 1.61 5.02 -0.26 -5.12 118.16 114.74 3du4 n LYS 75 Ca 0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 3du4 n LYS 75 Cb 0.09 -0.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.73 3du4 n LYS 75 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3du4 s ILE 76 N -1.65 0.00 -0.23 -0.18 2.07 -0.52 -5.08 121.20 115.61 3du4 s ILE 76 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 3du4 s ILE 76 Cb 0.00 -1.00 -0.17 0.00 0.13 0.00 0.00 42.46 41.42 3du4 s ILE 76 CO 0.00 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 172.97 3du4 n ALA 77 N 1.13 1.08 -3.66 1.50 0.00 -1.26 -4.53 120.51 114.78 3du4 n ALA 77 Ca -0.09 -0.85 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 3du4 n ALA 77 Cb 0.57 -0.24 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 3du4 n ALA 77 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3du4 s HIS 78 N -2.48 -0.64 0.26 0.00 5.65 -1.26 -2.77 115.29 114.05 3du4 s HIS 78 Ca -0.33 1.28 0.09 0.00 0.25 0.00 0.00 55.06 56.35 3du4 s HIS 78 Cb 0.10 0.16 -0.05 0.00 -1.18 0.00 0.00 32.58 31.60 3du4 s HIS 78 CO 0.59 -0.43 -0.13 -1.54 -0.65 0.00 0.00 174.74 172.57 3du4 s SER 79 N 2.53 3.03 0.47 9.88 1.04 -1.26 -5.02 113.70 124.37 3du4 s SER 79 Ca -0.00 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.15 3du4 s SER 79 Cb -0.12 -0.21 -0.09 0.00 0.10 0.00 0.00 66.02 65.69 3du4 s SER 79 CO -0.11 -0.16 0.98 0.28 0.98 0.00 0.00 173.24 175.20 3du4 s THR 80 N -2.82 4.33 -2.64 2.02 -1.32 -1.26 -4.77 115.64 109.19 3du4 s THR 80 Ca 0.28 1.32 0.23 0.00 -1.21 0.00 0.00 61.69 62.31 3du4 s THR 80 Cb -0.00 -3.61 0.34 0.00 -1.51 0.00 0.00 72.50 67.72 3du4 s THR 80 CO 0.11 -0.44 1.35 0.18 -2.21 0.00 0.00 174.62 173.61 3du4 n LEU 81 N -1.06 3.30 -4.61 9.08 4.32 -1.25 -4.10 117.00 122.68 3du4 n LEU 81 Ca 0.07 -1.33 -0.43 0.00 -0.02 0.00 0.00 56.01 54.30 3du4 n LEU 81 Cb 0.54 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.15 3du4 n LEU 81 CO 0.41 0.66 1.23 -0.76 -1.22 0.00 0.00 177.39 177.71 3du4 s LEU 82 N -1.65 3.66 0.00 2.23 1.02 -1.26 -3.37 118.68 119.30 3du4 s LEU 82 Ca 0.35 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.47 3du4 s LEU 82 Cb 0.22 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.89 3du4 s LEU 82 CO 0.31 -1.36 0.00 0.61 0.02 0.00 0.00 176.35 175.93 3du4 n GLY 83 N 4.90 0.71 3.20 -3.19 0.00 -1.26 -4.92 105.19 104.63 3du4 n GLY 83 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3du4 n GLY 83 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3du4 n MET 84 N -2.00 0.95 -3.40 1.61 0.00 -1.22 -5.19 117.12 107.87 3du4 n MET 84 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 57.70 55.63 3du4 n MET 84 Cb 0.00 2.38 -0.05 0.00 0.00 0.00 0.00 33.22 35.55 3du4 n MET 84 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 3du4 n THR 85 N -0.46 0.00 -4.39 3.17 5.66 -1.26 -3.95 114.28 113.05 3du4 n THR 85 Ca -0.07 -1.52 -0.20 0.00 -3.05 0.00 0.00 64.05 59.20 3du4 n THR 85 Cb 0.51 0.75 -0.09 0.00 -1.55 0.00 0.00 70.33 69.95 3du4 n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3du4 s ASN 86 N -2.46 1.87 0.01 1.09 4.22 -1.26 -4.92 114.94 113.48 3du4 s ASN 86 Ca 0.24 -1.54 -0.25 0.00 -2.14 0.00 0.00 52.86 49.17 3du4 s ASN 86 Cb 0.01 0.32 -0.17 0.00 1.28 0.00 0.00 41.25 42.69 3du4 s ASN 86 CO 0.17 -0.84 1.29 0.58 -2.04 0.00 0.00 177.10 176.26 3du4 h VAL 87 N 2.13 0.79 -0.35 3.54 2.07 -1.99 -2.72 116.25 119.73 3du4 h VAL 87 Ca -0.35 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 3du4 h VAL 87 Cb 1.25 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3du4 h VAL 87 CO 0.56 0.12 -0.16 1.55 0.02 0.00 0.00 177.57 179.67 3du4 h PRO 88 N -0.67 0.62 -0.26 1.57 0.13 -1.94 -0.75 132.00 130.70 3du4 h PRO 88 Ca -0.04 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3du4 h PRO 88 Cb 0.47 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3du4 h PRO 88 CO 0.06 0.76 0.03 0.00 -0.23 0.00 0.00 178.00 178.62 3du4 h ALA 89 N 1.27 1.57 -0.01 -0.56 0.00 -1.79 0.72 119.26 120.46 3du4 h ALA 89 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3du4 h ALA 89 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3du4 h ALA 89 CO 0.04 0.32 -0.06 1.15 0.00 0.00 0.00 179.25 180.70 3du4 h THR 90 N 0.37 1.53 -0.55 0.00 2.02 -1.14 -1.84 112.91 113.31 3du4 h THR 90 Ca 0.09 -1.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.60 3du4 h THR 90 Cb 0.20 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 3du4 h THR 90 CO 0.00 0.43 0.21 1.56 0.37 0.00 0.00 175.52 178.09 3du4 h GLN 91 N -0.59 0.83 -0.58 6.66 4.20 -1.08 -2.84 115.11 121.71 3du4 h GLN 91 Ca -0.00 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.56 3du4 h GLN 91 Cb 0.74 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3du4 h GLN 91 CO 0.01 0.73 0.37 1.25 -0.67 0.00 0.00 178.83 180.52 3du4 h LEU 92 N 0.75 0.62 -0.33 1.46 5.85 -0.92 -2.64 115.31 120.09 3du4 h LEU 92 Ca 0.18 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3du4 h LEU 92 Cb 0.22 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3du4 h LEU 92 CO -0.01 0.44 -0.23 0.00 -0.34 0.00 0.00 178.44 178.31 3du4 h ALA 93 N 1.23 -0.02 -0.34 1.25 0.00 -1.10 -1.13 119.26 119.14 3du4 h ALA 93 Ca 0.22 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.31 3du4 h ALA 93 Cb -0.04 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3du4 h ALA 93 CO -0.07 -0.62 -0.08 1.49 0.00 0.00 0.00 179.25 179.97 3du4 h GLU 94 N -0.19 0.00 -0.72 0.00 4.81 -1.27 -2.06 114.58 115.15 3du4 h GLU 94 Ca 0.17 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3du4 h GLU 94 Cb 0.45 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3du4 h GLU 94 CO -0.44 0.00 0.29 1.15 -0.73 0.00 0.00 179.01 179.28 3du4 h THR 95 N 0.00 1.24 -0.37 0.32 2.02 -1.09 -1.71 112.91 113.32 3du4 h THR 95 Ca 0.17 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 3du4 h THR 95 Cb 0.25 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3du4 h THR 95 CO -0.35 0.31 0.02 -0.07 0.37 0.00 0.00 175.52 175.80 3du4 h LEU 96 N 1.04 0.62 -1.18 2.58 3.38 -1.01 -2.14 115.31 118.60 3du4 h LEU 96 Ca 0.24 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3du4 h LEU 96 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3du4 h LEU 96 CO -0.02 0.76 0.33 0.40 0.09 0.00 0.00 178.44 179.99 3du4 h ILE 97 N 0.46 1.20 -0.23 1.22 1.08 -1.22 -1.53 117.51 118.50 3du4 h ILE 97 Ca 0.11 -0.54 -0.12 0.00 -0.39 0.00 0.00 64.86 63.92 3du4 h ILE 97 Cb 0.43 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 3du4 h ILE 97 CO 0.01 0.23 -0.37 -0.78 -0.69 0.00 0.00 178.15 176.55 3du4 h ASP 98 N 0.90 0.53 0.88 1.72 3.58 -0.89 -3.24 116.42 119.89 3du4 h ASP 98 Ca 0.23 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3du4 h ASP 98 Cb 0.06 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3du4 h ASP 98 CO -0.03 0.85 -1.02 2.30 -2.88 0.00 0.00 179.24 178.45 3du4 n ILE 99 N -4.05 0.52 -2.26 2.25 -5.35 -0.84 -4.95 119.36 104.69 3du4 n ILE 99 Ca -0.01 -0.49 -0.29 0.00 -0.27 0.00 0.00 62.75 61.69 3du4 n ILE 99 Cb 0.49 -0.26 0.01 0.00 -1.74 0.00 0.00 39.64 38.15 3du4 n ILE 99 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3du4 s SER 100 N -5.08 6.03 0.08 7.28 1.04 -0.59 -4.84 113.70 117.62 3du4 s SER 100 Ca 0.00 1.07 -0.33 0.00 0.48 0.00 0.00 55.95 57.17 3du4 s SER 100 Cb 0.11 -2.18 -0.18 0.00 0.10 0.00 0.00 66.02 63.87 3du4 s SER 100 CO 0.79 -0.86 0.79 -2.65 0.98 0.00 0.00 173.24 172.30 3du4 n PRO 101 N -2.57 0.00 -0.20 4.02 -0.02 -1.26 -4.79 135.00 130.18 3du4 n PRO 101 Ca 0.04 0.00 0.24 0.00 -2.02 0.00 0.00 63.50 61.76 3du4 n PRO 101 Cb 0.55 -1.22 0.63 0.00 -0.02 0.00 0.00 33.50 33.44 3du4 n PRO 101 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3du4 h LYS 102 N 2.02 0.17 0.00 -0.52 2.10 -1.94 -0.95 116.57 117.45 3du4 h LYS 102 Ca -0.39 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.17 3du4 h LYS 102 Cb 1.37 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 3du4 h LYS 102 CO 0.59 0.12 -0.37 0.87 -2.00 0.00 0.00 179.45 178.66 3du4 h LYS 103 N 0.18 0.00 -6.47 0.07 1.57 -1.91 -3.42 116.57 106.59 3du4 h LYS 103 Ca 0.44 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.65 3du4 h LYS 103 Cb 1.45 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.70 3du4 h LYS 103 CO -0.09 0.37 0.94 -0.51 -0.57 0.00 0.00 179.45 179.59 3du4 s LEU 104 N -6.59 3.78 0.00 2.94 1.43 -0.36 -4.19 118.68 115.69 3du4 s LEU 104 Ca 0.03 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 3du4 s LEU 104 Cb 0.08 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3du4 s LEU 104 CO 0.70 -1.12 0.61 0.35 0.23 0.00 0.00 176.35 177.12 3du4 n THR 105 N 6.41 0.19 -3.85 5.49 -2.24 -0.64 -4.83 114.28 114.82 3du4 n THR 105 Ca 0.13 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3du4 n THR 105 Cb 0.48 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.48 3du4 n THR 105 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3du4 s ARG 106 N -0.22 0.01 -0.12 -0.78 6.06 -0.90 -4.98 118.95 118.02 3du4 s ARG 106 Ca 0.01 0.05 0.03 0.00 -2.50 0.00 0.00 55.73 53.32 3du4 s ARG 106 Cb 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 34.95 34.99 3du4 s ARG 106 CO 0.00 -0.03 -0.21 0.08 -2.50 0.00 0.00 175.30 172.64 3du4 s VAL 107 N 0.19 1.95 -0.22 7.11 1.01 -1.26 -1.99 120.40 127.17 3du4 s VAL 107 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3du4 s VAL 107 Cb -0.02 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.69 3du4 s VAL 107 CO -0.01 0.53 -0.12 0.12 0.00 0.00 0.00 175.10 175.62 3du4 s PHE 108 N 0.67 2.89 0.53 5.22 2.19 -0.26 -4.98 117.98 124.24 3du4 s PHE 108 Ca -0.11 -1.95 -0.12 0.00 0.33 0.00 0.00 56.93 55.08 3du4 s PHE 108 Cb -0.16 -1.83 -0.05 0.00 -1.31 0.00 0.00 43.02 39.66 3du4 s PHE 108 CO 0.02 -0.82 0.94 0.71 1.83 0.00 0.00 175.22 177.89 3du4 s TYR 109 N 1.24 3.54 0.00 10.12 1.51 -1.26 -1.18 117.35 131.32 3du4 s TYR 109 Ca -0.04 1.22 0.00 0.00 -1.01 0.00 0.00 57.07 57.25 3du4 s TYR 109 Cb -0.17 -2.63 0.00 0.00 -0.11 0.00 0.00 41.96 39.05 3du4 s TYR 109 CO -0.08 -0.44 0.00 -1.13 -1.11 0.00 0.00 175.55 172.79 3du4 n SER 110 N -2.12 0.00 -0.04 2.29 3.41 -0.49 -4.82 113.62 111.86 3du4 n SER 110 Ca 0.05 -0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.42 3du4 n SER 110 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 3du4 n SER 110 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3du4 n ASP 111 N -0.32 1.21 -3.74 4.04 9.92 -1.26 -0.69 116.55 125.70 3du4 n ASP 111 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 3du4 n ASP 111 Cb 0.00 1.40 -0.05 0.00 -0.64 0.00 0.00 41.12 41.82 3du4 n ASP 111 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3du4 s SER 112 N -4.31 -0.11 0.28 -2.24 1.04 -1.26 -3.65 113.70 103.44 3du4 s SER 112 Ca -0.07 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.88 3du4 s SER 112 Cb 0.08 0.45 0.56 0.00 0.10 0.00 0.00 66.02 67.21 3du4 s SER 112 CO 0.66 -0.85 1.80 1.23 0.98 0.00 0.00 173.24 177.07 3du4 h GLY 113 N 2.47 1.55 1.06 7.32 0.00 -1.90 0.29 103.07 113.86 3du4 h GLY 113 Ca -0.33 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 3du4 h GLY 113 CO 0.48 0.07 0.14 0.00 0.00 0.00 0.00 176.54 177.23 3du4 h ALA 114 N 1.55 0.90 -0.04 3.60 0.00 -1.96 -0.81 119.26 122.49 3du4 h ALA 114 Ca 0.49 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3du4 h ALA 114 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3du4 h ALA 114 CO -0.31 0.64 -0.47 0.93 0.00 0.00 0.00 179.25 180.04 3du4 h GLU 115 N 1.03 0.11 -0.26 0.00 5.08 -1.71 0.17 114.58 119.00 3du4 h GLU 115 Ca 0.21 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3du4 h GLU 115 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3du4 h GLU 115 CO 0.01 0.56 -0.40 0.00 -1.00 0.00 0.00 179.01 178.18 3du4 h ALA 116 N 1.43 0.81 -0.08 3.43 0.00 -0.28 -1.33 119.26 123.25 3du4 h ALA 116 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 3du4 h ALA 116 Cb 0.87 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3du4 h ALA 116 CO 0.07 0.65 -0.82 0.52 0.00 0.00 0.00 179.25 179.67 3du4 h MET 117 N 0.51 0.69 -0.48 0.00 2.86 -0.81 -0.76 114.93 116.93 3du4 h MET 117 Ca 0.04 -0.64 0.04 0.00 -2.06 0.00 0.00 59.70 57.08 3du4 h MET 117 Cb 0.91 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 3du4 h MET 117 CO 0.08 1.24 0.25 1.49 1.06 0.00 0.00 176.91 181.03 3du4 h GLU 118 N 0.37 0.47 -0.46 1.72 4.57 -0.62 0.14 114.58 120.78 3du4 h GLU 118 Ca -0.08 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3du4 h GLU 118 Cb 1.47 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.93 3du4 h GLU 118 CO 0.17 0.31 0.30 0.82 -1.18 0.00 0.00 179.01 179.42 3du4 h ILE 119 N 0.49 1.11 -0.53 2.32 2.04 -1.19 -1.38 117.51 120.36 3du4 h ILE 119 Ca 0.21 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3du4 h ILE 119 Cb 0.11 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3du4 h ILE 119 CO -0.14 0.11 0.33 0.00 0.00 0.00 0.00 178.15 178.44 3du4 h ALA 120 N 1.17 0.68 -0.36 1.87 0.00 -0.41 0.45 119.26 122.67 3du4 h ALA 120 Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3du4 h ALA 120 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3du4 h ALA 120 CO -0.04 0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 179.05 3du4 h LEU 121 N 0.65 0.63 -0.13 0.00 3.38 -0.88 -1.41 115.31 117.56 3du4 h LEU 121 Ca 0.21 -0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 3du4 h LEU 121 Cb -0.01 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.59 3du4 h LEU 121 CO -0.08 0.79 -0.91 0.11 0.09 0.00 0.00 178.44 178.43 3du4 h LYS 122 N 0.58 0.64 -0.31 1.13 1.57 -0.91 -2.34 116.57 116.94 3du4 h LYS 122 Ca 0.10 -0.62 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3du4 h LYS 122 Cb 0.57 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3du4 h LYS 122 CO 0.04 1.22 0.11 0.52 -0.57 0.00 0.00 179.45 180.77 3du4 h MET 123 N 0.39 0.24 0.15 3.15 2.86 -0.78 -1.34 114.93 119.59 3du4 h MET 123 Ca -0.09 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3du4 h MET 123 Cb 1.55 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.15 3du4 h MET 123 CO 0.18 0.16 -0.07 0.00 1.06 0.00 0.00 176.91 178.23 3du4 h ALA 124 N 1.19 -0.20 -0.62 6.32 0.00 -1.30 0.87 119.26 125.53 3du4 h ALA 124 Ca 0.14 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3du4 h ALA 124 Cb 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3du4 h ALA 124 CO -0.14 -0.61 0.34 0.35 0.00 0.00 0.00 179.25 179.19 3du4 h PHE 125 N -0.20 0.62 0.02 0.00 3.57 -1.38 -3.09 116.94 116.49 3du4 h PHE 125 Ca -0.02 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 3du4 h PHE 125 Cb 0.15 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3du4 h PHE 125 CO -0.07 0.31 -1.23 0.37 -2.23 0.00 0.00 178.31 175.45 3du4 h GLN 126 N 0.64 0.04 -0.36 1.11 4.15 -1.21 -3.28 115.11 116.20 3du4 h GLN 126 Ca 0.27 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.70 3du4 h GLN 126 Cb 0.15 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 3du4 h GLN 126 CO -0.17 0.90 -0.23 -0.92 -1.93 0.00 0.00 178.83 176.48 3du4 h TYR 127 N 0.01 -0.61 -0.31 3.99 3.20 -0.78 0.68 116.97 123.15 3du4 h TYR 127 Ca -0.11 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 3du4 h TYR 127 Cb 1.86 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 40.44 3du4 h TYR 127 CO 0.01 -0.31 -0.04 -1.49 -1.64 0.00 0.00 178.16 174.69 3du4 h TRP 128 N -0.18 0.52 0.00 -3.82 4.06 -1.60 -2.45 115.95 112.47 3du4 h TRP 128 Ca 0.18 -0.06 -0.12 0.00 2.06 0.00 0.00 58.89 60.96 3du4 h TRP 128 Cb 0.46 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3du4 h TRP 128 CO -0.45 0.54 -0.56 1.57 -3.56 0.00 0.00 178.44 175.98 3du4 h LYS 129 N 0.47 0.00 -0.48 0.49 2.10 -1.49 0.29 116.57 117.96 3du4 h LYS 129 Ca 0.10 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.72 3du4 h LYS 129 Cb 0.37 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 3du4 h LYS 129 CO 0.02 0.56 0.20 -0.91 -2.00 0.00 0.00 179.45 177.31 3du4 h ASN 130 N 0.00 0.62 -0.44 7.07 4.21 -0.44 -2.80 115.58 123.80 3du4 h ASN 130 Ca -0.01 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.44 3du4 h ASN 130 Cb 1.34 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3du4 h ASN 130 CO 0.07 0.56 0.00 2.30 -1.29 0.00 0.00 177.43 179.07 3du4 n ILE 131 N -4.36 0.58 -1.47 2.81 -5.35 -0.96 -4.95 119.36 105.66 3du4 n ILE 131 Ca 0.04 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 3du4 n ILE 131 Cb 0.15 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 3du4 n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3du4 n GLY 132 N 1.31 0.61 2.57 3.28 0.00 -1.06 -5.01 105.19 106.89 3du4 n GLY 132 Ca 0.17 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 3du4 n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du4 n LYS 133 N -1.42 2.71 0.21 1.61 4.76 0.10 -4.93 118.16 121.20 3du4 n LYS 133 Ca 0.00 -4.70 0.15 0.00 -2.87 0.00 0.00 58.31 50.88 3du4 n LYS 133 Cb 0.32 -2.23 0.72 0.00 -1.84 0.00 0.00 35.03 32.00 3du4 n LYS 133 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3du4 h PRO 134 N 3.81 0.00 -0.68 1.97 0.13 -1.87 -2.29 132.00 133.08 3du4 h PRO 134 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 3du4 h PRO 134 Cb 0.62 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 3du4 h PRO 134 CO 0.83 0.00 0.28 0.93 -0.23 0.00 0.00 178.00 179.81 3du4 h GLU 135 N 0.00 0.98 -5.89 0.86 3.07 -1.91 -3.37 114.58 108.32 3du4 h GLU 135 Ca 0.00 -0.15 -0.52 0.00 -0.50 0.00 0.00 59.36 58.18 3du4 h GLU 135 Cb 0.14 -0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 27.80 3du4 h GLU 135 CO 0.00 0.79 1.45 0.15 -1.40 0.00 0.00 179.01 180.00 3du4 s LYS 136 N -5.48 3.33 0.00 2.33 1.02 -0.86 -4.47 119.74 115.61 3du4 s LYS 136 Ca -0.11 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.73 3du4 s LYS 136 Cb 0.16 -5.33 0.00 0.00 -0.52 0.00 0.00 37.83 32.15 3du4 s LYS 136 CO 0.81 -2.68 0.09 0.00 -0.92 0.00 0.00 175.35 172.65 3du4 n GLN 137 N 8.70 0.61 -2.88 1.68 10.64 -0.74 -4.25 117.38 131.13 3du4 n GLN 137 Ca 0.40 -0.09 -0.28 0.00 -1.83 0.00 0.00 57.00 55.20 3du4 n GLN 137 Cb 0.48 -0.46 -0.01 0.00 -0.86 0.00 0.00 30.24 29.39 3du4 n GLN 137 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3du4 s LYS 138 N -0.11 3.60 0.12 2.61 1.02 0.13 -4.68 119.74 122.41 3du4 s LYS 138 Ca 0.00 0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.23 3du4 s LYS 138 Cb 0.00 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3du4 s LYS 138 CO 0.00 -0.07 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.15 3du4 s PHE 139 N -2.52 2.61 -0.13 3.18 0.40 -1.26 0.48 117.98 120.73 3du4 s PHE 139 Ca 0.47 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 3du4 s PHE 139 Cb -0.10 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 3du4 s PHE 139 CO 0.39 0.41 -0.15 0.42 0.70 0.00 0.00 175.22 176.98 3du4 s ILE 140 N -1.20 2.78 0.16 0.64 1.01 -0.52 -0.68 121.20 123.38 3du4 s ILE 140 Ca 0.19 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3du4 s ILE 140 Cb -0.11 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3du4 s ILE 140 CO 0.12 0.53 -0.16 0.00 0.00 0.00 0.00 174.94 175.42 3du4 s ALA 141 N 0.48 1.84 -0.15 9.38 0.00 -0.13 0.08 121.76 133.26 3du4 s ALA 141 Ca -0.11 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 50.16 3du4 s ALA 141 Cb -0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3du4 s ALA 141 CO 0.05 0.15 0.65 -1.64 0.00 0.00 0.00 175.76 174.96 3du4 s MET 142 N -2.99 4.29 0.00 0.00 1.00 -1.23 -1.93 119.30 118.44 3du4 s MET 142 Ca 0.15 0.70 -0.15 0.00 0.00 0.00 0.00 55.69 56.40 3du4 s MET 142 Cb -0.04 -3.53 -0.07 0.00 0.00 0.00 0.00 34.83 31.19 3du4 s MET 142 CO 0.05 -0.13 0.39 1.63 0.00 0.00 0.00 175.02 176.96 3du4 n LYS 143 N 4.62 0.00 -1.50 2.03 4.76 0.34 -0.58 118.16 127.82 3du4 n LYS 143 Ca -0.01 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.28 3du4 n LYS 143 Cb 0.50 -0.55 -0.06 0.00 -1.84 0.00 0.00 35.03 33.08 3du4 n LYS 143 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3du4 n ASN 144 N 0.56 -4.71 -4.81 4.39 5.03 -1.21 -4.59 115.26 109.92 3du4 n ASN 144 Ca 0.07 0.32 -0.35 0.00 0.87 0.00 0.00 54.58 55.49 3du4 n ASN 144 Cb 0.03 -3.52 -0.06 0.00 -1.02 0.00 0.00 39.78 35.21 3du4 n ASN 144 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3du4 s GLY 145 N -2.80 2.59 -0.07 7.41 0.00 0.25 -4.51 107.32 110.19 3du4 s GLY 145 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.02 3du4 s GLY 145 CO 0.00 0.63 -0.10 -0.47 0.00 0.00 0.00 173.10 173.16 3du4 s TYR 146 N -1.71 1.33 0.00 1.90 5.04 -1.26 -0.23 117.35 122.42 3du4 s TYR 146 Ca 0.49 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 3du4 s TYR 146 Cb -0.15 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.12 3du4 s TYR 146 CO 0.20 -0.32 0.65 0.72 -1.34 0.00 0.00 175.55 175.46 3du4 n HIS 147 N 4.14 0.00 0.00 4.97 8.25 -1.26 -4.91 115.22 126.41 3du4 n HIS 147 Ca -0.20 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3du4 n HIS 147 Cb 0.51 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3du4 n HIS 147 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du4 n GLY 148 N -0.21 1.12 0.02 -1.41 0.00 -1.26 -4.22 105.19 99.23 3du4 n GLY 148 Ca 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.82 3du4 n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3du4 n ASP 149 N 0.00 1.65 -4.72 1.61 10.43 -1.26 -3.95 116.55 120.31 3du4 n ASP 149 Ca 0.00 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.04 3du4 n ASP 149 Cb 0.00 1.48 0.12 0.00 1.84 0.00 0.00 41.12 44.55 3du4 n ASP 149 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3du4 s THR 150 N -2.86 2.53 0.41 -3.53 -4.23 -1.26 -4.67 115.64 102.02 3du4 s THR 150 Ca -0.06 0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.74 3du4 s THR 150 Cb 0.08 -2.54 0.28 0.00 1.34 0.00 0.00 72.50 71.67 3du4 s THR 150 CO 0.60 -0.19 2.02 0.40 -0.54 0.00 0.00 174.62 176.91 3du4 h ILE 151 N -1.06 1.04 -0.09 2.99 1.08 -1.97 -1.36 117.51 118.14 3du4 h ILE 151 Ca -0.45 -0.19 -0.22 0.00 -0.39 0.00 0.00 64.86 63.61 3du4 h ILE 151 Cb 1.27 0.44 0.01 0.00 -3.07 0.00 0.00 36.82 35.46 3du4 h ILE 151 CO 0.47 0.10 -0.81 1.23 -0.69 0.00 0.00 178.15 178.45 3du4 h GLY 152 N 0.56 0.68 1.68 5.37 0.00 -1.93 -1.88 103.07 107.55 3du4 h GLY 152 Ca 0.21 -1.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 3du4 h GLY 152 CO -0.05 0.89 -0.14 0.00 0.00 0.00 0.00 176.54 177.24 3du4 h ALA 153 N 0.69 1.34 0.00 3.60 0.00 -1.60 -2.86 119.26 120.43 3du4 h ALA 153 Ca -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3du4 h ALA 153 Cb 1.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3du4 h ALA 153 CO 0.15 0.45 -0.46 -0.39 0.00 0.00 0.00 179.25 179.00 3du4 h VAL 154 N 0.36 0.09 0.00 0.00 -1.51 -1.22 -2.79 116.25 111.19 3du4 h VAL 154 Ca 0.07 -1.15 -0.05 0.00 -1.23 0.00 0.00 66.70 64.34 3du4 h VAL 154 Cb 0.46 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 3du4 h VAL 154 CO 0.03 0.05 -0.24 0.28 -1.23 0.00 0.00 177.57 176.46 3du4 h SER 155 N 0.00 0.00 -0.38 4.19 0.02 -1.11 -2.66 113.55 113.60 3du4 h SER 155 Ca -0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3du4 h SER 155 Cb 1.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 3du4 h SER 155 CO 0.01 0.24 0.04 0.55 -1.14 0.00 0.00 176.83 176.52 3du4 n VAL 156 N -3.56 2.49 -4.49 2.27 3.14 -1.13 -4.70 118.33 112.35 3du4 n VAL 156 Ca -0.01 -2.10 -0.21 0.00 -2.96 0.00 0.00 64.34 59.06 3du4 n VAL 156 Cb 0.38 -0.30 -0.14 0.00 -1.06 0.00 0.00 33.84 32.72 3du4 n VAL 156 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3du4 s GLY 157 N -1.96 0.69 -0.50 7.55 0.00 -1.00 -4.71 107.32 107.39 3du4 s GLY 157 Ca 0.45 -0.66 0.07 0.00 0.00 0.00 0.00 44.72 44.58 3du4 s GLY 157 CO 0.07 -0.60 0.62 -1.14 0.00 0.00 0.00 173.10 172.05 3du4 n SER 158 N 2.42 1.72 -4.19 1.64 3.41 0.68 -4.86 113.62 114.45 3du4 n SER 158 Ca -0.16 -3.02 -0.40 0.00 -0.26 0.00 0.00 58.87 55.04 3du4 n SER 158 Cb 0.55 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3du4 n SER 158 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3du4 s ILE 159 N -1.74 4.07 0.29 -1.33 -1.09 -1.26 -3.35 121.20 116.80 3du4 s ILE 159 Ca 0.37 -2.05 -0.03 0.00 -2.23 0.00 0.00 60.65 56.71 3du4 s ILE 159 Cb 0.16 -3.68 0.41 0.00 -1.58 0.00 0.00 42.46 37.77 3du4 s ILE 159 CO -0.07 -0.79 1.58 -0.33 -1.23 0.00 0.00 174.94 174.09 3du4 h GLU 160 N 8.14 0.01 0.00 2.79 4.39 -1.95 0.60 114.58 128.56 3du4 h GLU 160 Ca -0.15 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 3du4 h GLU 160 Cb 1.05 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3du4 h GLU 160 CO 0.81 0.01 -0.28 1.25 -1.16 0.00 0.00 179.01 179.63 3du4 h LEU 161 N 0.01 0.00 0.00 1.33 5.85 -1.98 -3.20 115.31 117.32 3du4 h LEU 161 Ca 0.52 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.17 3du4 h LEU 161 Cb 0.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3du4 h LEU 161 CO -0.93 0.28 -0.49 -0.26 -0.34 0.00 0.00 178.44 176.71 3du4 h PHE 162 N 0.00 0.00 -1.85 1.25 0.05 -0.85 -3.48 116.94 112.07 3du4 h PHE 162 Ca -0.00 0.00 -0.45 0.00 3.82 0.00 0.00 57.97 61.34 3du4 h PHE 162 Cb 0.50 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.45 3du4 h PHE 162 CO 0.00 0.90 -0.37 -1.01 -0.18 0.00 0.00 178.31 177.66 3du4 s HIS 163 N -2.17 3.12 -0.39 -0.55 3.76 0.17 -4.54 115.29 114.68 3du4 s HIS 163 Ca -0.19 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 3du4 s HIS 163 Cb 0.01 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.78 3du4 s HIS 163 CO 0.50 0.06 0.00 1.58 -0.85 0.00 0.00 174.74 176.03 3du4 n HIS 164 N -1.58 -0.05 0.05 1.40 -0.00 -1.26 -4.50 115.22 109.28 3du4 n HIS 164 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 3du4 n HIS 164 Cb 0.58 -1.19 -0.14 0.00 -0.00 0.00 0.00 29.99 29.23 3du4 n HIS 164 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3du4 h VAL 165 N 0.00 1.19 0.00 3.57 2.07 -1.85 -3.38 116.25 117.85 3du4 h VAL 165 Ca -0.08 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3du4 h VAL 165 Cb 0.47 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3du4 h VAL 165 CO 0.12 0.74 0.00 -1.22 0.02 0.00 0.00 177.57 177.23 3du4 n TYR 166 N -3.91 0.00 -0.30 1.57 4.02 -1.26 -4.34 117.16 112.93 3du4 n TYR 166 Ca -0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.60 3du4 n TYR 166 Cb 0.93 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.18 3du4 n TYR 166 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3du4 n GLY 167 N 0.09 -2.10 0.35 2.72 0.00 -1.26 -0.54 105.19 104.44 3du4 n GLY 167 Ca 0.07 0.90 0.12 0.00 0.00 0.00 0.00 46.02 47.11 3du4 n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3du4 h PRO 168 N 0.00 0.00 -0.01 1.61 0.11 -1.95 -2.14 132.00 129.63 3du4 h PRO 168 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3du4 h PRO 168 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3du4 h PRO 168 CO -0.68 0.00 -0.64 1.28 -0.21 0.00 0.00 178.00 177.75 3du4 n LEU 169 N -2.86 1.59 -4.79 2.35 4.77 0.30 -4.84 117.00 113.51 3du4 n LEU 169 Ca 0.00 -0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 54.97 3du4 n LEU 169 Cb 0.60 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3du4 n LEU 169 CO 0.11 0.32 0.35 -0.04 -1.33 0.00 0.00 177.39 176.81 3du4 s MET 170 N -2.67 4.35 -0.11 3.23 -1.94 -0.80 -4.97 119.30 116.39 3du4 s MET 170 Ca 0.15 0.89 -0.05 0.00 -1.71 0.00 0.00 55.69 54.97 3du4 s MET 170 Cb 0.17 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.75 3du4 s MET 170 CO 0.67 0.56 0.10 0.34 -0.01 0.00 0.00 175.02 176.68 3du4 n PHE 171 N 1.89 -0.95 -2.13 -0.03 7.35 -1.26 -4.98 117.46 117.36 3du4 n PHE 171 Ca -0.08 0.41 -0.36 0.00 -0.76 0.00 0.00 57.45 56.66 3du4 n PHE 171 Cb 0.50 -1.57 0.01 0.00 0.35 0.00 0.00 39.48 38.78 3du4 n PHE 171 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3du4 s GLU 172 N -1.30 3.35 -0.23 -4.13 2.02 -1.26 -4.81 118.70 112.35 3du4 s GLU 172 Ca 0.05 1.81 -0.20 0.00 0.02 0.00 0.00 54.97 56.65 3du4 s GLU 172 Cb -0.01 -2.15 0.06 0.00 0.10 0.00 0.00 34.13 32.13 3du4 s GLU 172 CO 0.23 -0.89 0.61 0.45 0.02 0.00 0.00 175.26 175.67 3du4 s SER 173 N -1.48 -0.66 0.06 -0.19 0.15 -1.26 -4.54 113.70 105.79 3du4 s SER 173 Ca 0.71 1.24 -0.27 0.00 0.70 0.00 0.00 55.95 58.33 3du4 s SER 173 Cb -0.29 1.23 -0.05 0.00 -1.71 0.00 0.00 66.02 65.19 3du4 s SER 173 CO 0.34 -0.21 0.83 -0.31 1.20 0.00 0.00 173.24 175.09 3du4 s TYR 174 N 0.49 3.76 -0.19 3.44 1.51 0.14 -4.96 117.35 121.54 3du4 s TYR 174 Ca -0.01 1.58 -0.04 0.00 -1.01 0.00 0.00 57.07 57.58 3du4 s TYR 174 Cb -0.05 -2.90 -0.02 0.00 -0.11 0.00 0.00 41.96 38.88 3du4 s TYR 174 CO -0.02 0.24 -0.02 0.15 -1.11 0.00 0.00 175.55 174.80 3du4 s LYS 175 N 0.01 3.59 0.09 -0.62 -0.14 -1.26 -0.96 119.74 120.45 3du4 s LYS 175 Ca 0.42 -0.54 0.05 0.00 -1.36 0.00 0.00 55.97 54.54 3du4 s LYS 175 Cb -0.21 -3.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 3du4 s LYS 175 CO 0.25 0.03 -0.03 0.00 -0.76 0.00 0.00 175.35 174.84 3du4 s ALA 176 N 0.93 3.19 0.29 5.17 0.00 -0.81 -4.86 121.76 125.67 3du4 s ALA 176 Ca 0.01 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.57 3du4 s ALA 176 Cb -0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 3du4 s ALA 176 CO 0.02 0.68 0.89 -1.25 0.00 0.00 0.00 175.76 176.10 3du4 s PRO 177 N -2.24 4.52 -0.00 0.00 0.04 -1.26 -0.51 135.00 135.54 3du4 s PRO 177 Ca 0.24 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 3du4 s PRO 177 Cb -0.11 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3du4 s PRO 177 CO 0.17 0.33 0.12 0.42 0.04 0.00 0.00 177.00 178.08 3du4 s ILE 178 N -1.56 5.02 -0.22 0.56 -1.09 -1.26 -4.84 121.20 117.80 3du4 s ILE 178 Ca 0.48 -0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.29 3du4 s ILE 178 Cb -0.19 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3du4 s ILE 178 CO 0.24 0.33 1.72 -2.16 -1.23 0.00 0.00 174.94 173.83 3du4 s PRO 179 N -1.84 3.69 -0.94 2.79 0.04 -1.26 -4.93 135.00 132.54 3du4 s PRO 179 Ca 0.25 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 3du4 s PRO 179 Cb -0.12 -4.10 0.24 0.00 0.04 0.00 0.00 34.50 30.56 3du4 s PRO 179 CO 0.16 -1.43 0.89 -0.47 0.04 0.00 0.00 177.00 176.19 3du4 s TYR 180 N 5.68 3.97 0.24 0.56 5.04 -1.26 -4.77 117.35 126.80 3du4 s TYR 180 Ca 0.76 -2.50 -0.06 0.00 -2.44 0.00 0.00 57.07 52.83 3du4 s TYR 180 Cb -0.26 -3.69 0.30 0.00 0.35 0.00 0.00 41.96 38.66 3du4 s TYR 180 CO 0.31 -0.93 1.87 0.28 -1.34 0.00 0.00 175.55 175.75 3du4 h VAL 181 N 4.25 1.10 0.44 3.14 2.07 -1.91 -3.18 116.25 122.15 3du4 h VAL 181 Ca 0.13 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3du4 h VAL 181 Cb 0.93 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3du4 h VAL 181 CO 0.87 0.19 -0.21 0.22 0.02 0.00 0.00 177.57 178.66 3du4 h TYR 182 N 1.05 -0.55 -2.48 1.57 5.03 -1.93 -3.16 116.97 116.50 3du4 h TYR 182 Ca 0.36 -0.01 -0.80 0.00 2.58 0.00 0.00 58.73 60.86 3du4 h TYR 182 Cb 0.08 0.18 -0.25 0.00 1.55 0.00 0.00 36.73 38.30 3du4 h TYR 182 CO -0.02 -0.34 1.13 2.89 -1.32 0.00 0.00 178.16 180.50 3du4 n ARG 183 N -3.60 4.30 -4.28 1.82 0.00 -1.25 -4.91 116.66 108.74 3du4 n ARG 183 Ca -0.07 -4.29 -0.20 0.00 -0.00 0.00 0.00 57.85 53.29 3du4 n ARG 183 Cb 0.23 -2.62 -0.11 0.00 -0.00 0.00 0.00 32.46 29.96 3du4 n ARG 183 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3du4 s SER 184 N -1.11 2.31 0.05 2.89 1.04 -1.20 -4.98 113.70 112.71 3du4 s SER 184 Ca 0.34 -0.83 -0.31 0.00 0.48 0.00 0.00 55.95 55.63 3du4 s SER 184 Cb 0.07 -0.11 -0.18 0.00 0.10 0.00 0.00 66.02 65.90 3du4 s SER 184 CO 0.08 -0.09 1.49 1.05 0.98 0.00 0.00 173.24 176.75 3du4 h GLU 185 N 3.43 -0.79 0.00 4.02 4.11 -1.91 -3.39 114.58 120.05 3du4 h GLU 185 Ca -0.41 0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.07 3du4 h GLU 185 Cb 1.20 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3du4 h GLU 185 CO 0.50 -0.50 0.00 0.45 0.07 0.00 0.00 179.01 179.53 3du4 n SER 186 N -5.41 0.00 -3.13 3.06 2.88 -1.26 -5.02 113.62 104.75 3du4 n SER 186 Ca -0.13 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.39 3du4 n SER 186 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3du4 n SER 186 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3du4 n GLY 187 N 1.41 -1.25 2.90 0.46 0.00 -1.26 -5.01 105.19 102.43 3du4 n GLY 187 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 46.02 46.50 3du4 n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3du4 n ASP 188 N -1.81 -7.54 -0.11 1.61 8.00 -1.26 -4.86 116.55 110.57 3du4 n ASP 188 Ca -0.03 0.99 -0.13 0.00 0.71 0.00 0.00 54.79 56.34 3du4 n ASP 188 Cb 0.52 -4.22 -0.01 0.00 -0.02 0.00 0.00 41.12 37.38 3du4 n ASP 188 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3du4 h PRO 189 N 3.02 0.91 -0.33 -0.24 0.11 -1.95 -3.09 132.00 130.44 3du4 h PRO 189 Ca -0.03 -0.48 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 3du4 h PRO 189 Cb 0.45 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3du4 h PRO 189 CO 0.09 1.14 -0.43 -0.44 -0.21 0.00 0.00 178.00 178.15 3du4 h ASP 190 N 0.74 0.90 -0.44 -2.05 3.32 -1.99 -1.15 116.42 115.74 3du4 h ASP 190 Ca 0.06 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.59 3du4 h ASP 190 Cb 0.99 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3du4 h ASP 190 CO 0.10 1.20 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.68 3du4 h GLU 191 N 0.67 0.82 0.43 3.56 4.81 -2.01 -2.73 114.58 120.14 3du4 h GLU 191 Ca 0.05 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3du4 h GLU 191 Cb 1.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3du4 h GLU 191 CO 0.10 0.91 -0.21 0.00 -0.73 0.00 0.00 179.01 179.09 3du4 n ARG 193 N -3.77 -0.08 0.12 0.00 0.63 -0.45 -1.71 116.66 111.40 3du4 n ARG 193 Ca -0.07 0.52 0.04 0.00 -0.92 0.00 0.00 57.85 57.42 3du4 n ARG 193 Cb 0.23 -0.77 0.45 0.00 0.45 0.00 0.00 32.46 32.82 3du4 n ARG 193 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3du4 h ASP 194 N 0.00 0.24 0.00 6.15 3.32 -1.48 -0.49 116.42 124.17 3du4 h ASP 194 Ca 0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3du4 h ASP 194 Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3du4 h ASP 194 CO -0.18 0.29 0.00 1.67 -1.72 0.00 0.00 179.24 179.30 3du4 n GLN 195 N -4.39 0.87 0.00 3.56 -0.06 -0.70 -1.63 117.38 115.04 3du4 n GLN 195 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3du4 n GLN 195 Cb 0.17 -1.12 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 3du4 n GLN 195 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3du4 n LEU 197 N 0.48 0.00 -0.18 1.69 4.77 -0.19 -1.65 117.00 121.92 3du4 n LEU 197 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3du4 n LEU 197 Cb 0.40 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.63 3du4 n LEU 197 CO 0.00 0.00 0.98 0.03 -1.33 0.00 0.00 177.39 177.07 3du4 h ARG 198 N 0.00 0.96 -0.13 3.23 3.08 -1.56 -0.36 114.38 119.59 3du4 h ARG 198 Ca 0.00 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.66 3du4 h ARG 198 Cb 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3du4 h ARG 198 CO 0.00 0.84 -0.71 0.93 -1.07 0.00 0.00 179.97 179.96 3du4 h GLU 199 N 0.92 0.57 0.44 0.04 5.08 -1.60 -1.62 114.58 118.42 3du4 h GLU 199 Ca 0.20 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3du4 h GLU 199 Cb 0.30 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3du4 h GLU 199 CO -0.00 1.07 -0.26 1.25 -1.00 0.00 0.00 179.01 180.06 3du4 h LEU 200 N 0.40 -0.64 -0.79 1.33 6.46 -1.82 -0.96 115.31 119.29 3du4 h LEU 200 Ca -0.03 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 57.91 3du4 h LEU 200 Cb 1.29 0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 41.31 3du4 h LEU 200 CO 0.13 -0.42 0.34 0.00 -0.62 0.00 0.00 178.44 177.88 3du4 h ALA 201 N -0.13 1.13 -0.60 1.25 0.00 -1.09 0.29 119.26 120.12 3du4 h ALA 201 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3du4 h ALA 201 Cb 0.54 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3du4 h ALA 201 CO 0.06 -0.18 0.39 1.96 0.00 0.00 0.00 179.25 181.48 3du4 h GLN 202 N 0.49 0.78 0.00 0.00 1.08 -1.24 0.10 115.11 116.33 3du4 h GLN 202 Ca 0.43 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.59 3du4 h GLN 202 Cb 0.65 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3du4 h GLN 202 CO -0.40 0.52 -0.00 1.25 -0.95 0.00 0.00 178.83 179.25 3du4 h LEU 203 N 0.81 -0.00 -0.37 1.46 6.46 0.58 -2.69 115.31 121.55 3du4 h LEU 203 Ca 0.22 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3du4 h LEU 203 Cb -0.09 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 3du4 h LEU 203 CO -0.05 0.18 0.16 -0.07 -0.62 0.00 0.00 178.44 178.05 3du4 h LEU 204 N -0.19 0.22 -0.75 2.25 4.07 -0.51 -2.13 115.31 118.27 3du4 h LEU 204 Ca -0.00 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.11 3du4 h LEU 204 Cb 0.19 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.83 3du4 h LEU 204 CO 0.00 0.17 0.35 -0.08 -1.08 0.00 0.00 178.44 177.80 3du4 h GLU 205 N 0.34 0.53 0.15 1.13 4.57 -0.60 -0.18 114.58 120.52 3du4 h GLU 205 Ca 0.16 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 58.02 3du4 h GLU 205 Cb 0.10 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3du4 h GLU 205 CO -0.14 0.35 -1.29 0.93 -1.18 0.00 0.00 179.01 177.68 3du4 h GLU 206 N 0.55 0.33 0.00 1.92 5.08 -1.29 -3.40 114.58 117.76 3du4 h GLU 206 Ca 0.40 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3du4 h GLU 206 Cb 0.52 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3du4 h GLU 206 CO -0.34 1.27 0.00 0.72 -1.00 0.00 0.00 179.01 179.66 3du4 n HIS 207 N -3.57 0.00 0.29 4.33 8.25 -0.82 -4.81 115.22 118.89 3du4 n HIS 207 Ca -0.10 -0.10 0.16 0.00 -0.26 0.00 0.00 57.72 57.42 3du4 n HIS 207 Cb 1.04 -0.01 0.94 0.00 1.12 0.00 0.00 29.99 33.09 3du4 n HIS 207 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3du4 h HIS 208 N 0.00 0.00 0.00 4.41 2.07 -1.23 -0.11 115.15 120.29 3du4 h HIS 208 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3du4 h HIS 208 Cb 0.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.12 3du4 h HIS 208 CO 0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 3du4 n GLU 209 N -3.72 0.15 0.00 5.12 1.02 -1.26 -2.97 120.64 118.97 3du4 n GLU 209 Ca -0.02 0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 3du4 n GLU 209 Cb 0.12 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 3du4 n GLU 209 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3du4 n GLU 210 N -1.38 2.24 -3.71 3.49 1.02 -0.06 -4.01 120.64 118.22 3du4 n GLU 210 Ca 0.07 -0.55 -0.37 0.00 -0.02 0.00 0.00 57.16 56.29 3du4 n GLU 210 Cb 0.18 -1.08 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 3du4 n GLU 210 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3du4 s ILE 211 N -1.45 4.61 -0.07 -3.67 1.01 -1.16 0.19 121.20 120.66 3du4 s ILE 211 Ca 0.08 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 3du4 s ILE 211 Cb 0.08 -3.17 -0.26 0.00 0.01 0.00 0.00 42.46 39.13 3du4 s ILE 211 CO 0.28 0.32 0.94 0.00 0.00 0.00 0.00 174.94 176.47 3du4 h ALA 212 N 8.25 0.00 -2.65 9.38 0.00 -0.15 -3.44 119.26 130.65 3du4 h ALA 212 Ca -0.37 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 53.97 3du4 h ALA 212 Cb 1.18 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 3du4 h ALA 212 CO 0.57 0.11 0.07 0.00 0.00 0.00 0.00 179.25 180.01 3du4 s ALA 213 N -2.78 -1.35 -0.09 0.00 0.00 -1.21 -2.45 121.76 113.87 3du4 s ALA 213 Ca -0.16 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3du4 s ALA 213 Cb -0.00 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 3du4 s ALA 213 CO 0.74 -0.59 -0.09 -1.17 0.00 0.00 0.00 175.76 174.65 3du4 s LEU 214 N -2.28 3.01 -0.12 0.00 0.20 0.49 -1.44 118.68 118.54 3du4 s LEU 214 Ca -0.02 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.67 3du4 s LEU 214 Cb -0.00 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 3du4 s LEU 214 CO -0.06 0.29 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.59 3du4 s SER 215 N -0.40 3.78 -0.18 3.68 0.15 0.11 -0.25 113.70 120.59 3du4 s SER 215 Ca 0.05 -0.38 -0.16 0.00 0.70 0.00 0.00 55.95 56.17 3du4 s SER 215 Cb -0.12 -1.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.69 3du4 s SER 215 CO 0.02 0.17 0.47 -0.51 1.20 0.00 0.00 173.24 174.59 3du4 s ILE 216 N 0.32 -0.00 0.50 6.45 2.07 -0.54 -3.48 121.20 126.51 3du4 s ILE 216 Ca -0.13 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 58.91 3du4 s ILE 216 Cb -0.16 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.70 3du4 s ILE 216 CO 0.06 0.00 1.18 -1.61 -1.91 0.00 0.00 174.94 172.67 3du4 s GLU 217 N 0.44 3.54 -0.62 3.50 2.02 -1.26 -0.50 118.70 125.83 3du4 s GLU 217 Ca -0.02 1.79 -0.25 0.00 0.02 0.00 0.00 54.97 56.51 3du4 s GLU 217 Cb -0.04 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 31.97 3du4 s GLU 217 CO -0.02 -0.74 1.07 0.45 0.02 0.00 0.00 175.26 176.04 3du4 s SER 218 N -1.43 6.30 0.00 -0.19 0.15 -0.76 -4.55 113.70 113.21 3du4 s SER 218 Ca 0.68 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.94 3du4 s SER 218 Cb -0.29 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3du4 s SER 218 CO 0.34 -1.45 0.00 0.23 1.20 0.00 0.00 173.24 173.57 3du4 n MET 219 N 8.11 0.00 -4.18 5.44 2.81 -1.26 -4.81 117.12 123.22 3du4 n MET 219 Ca 0.02 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.71 3du4 n MET 219 Cb 0.48 -0.72 -0.16 0.00 -0.71 0.00 0.00 33.22 32.10 3du4 n MET 219 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3du4 s VAL 220 N 0.00 0.59 -0.47 2.03 1.01 -1.26 -0.39 120.40 121.90 3du4 s VAL 220 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 3du4 s VAL 220 Cb 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.80 3du4 s VAL 220 CO 0.00 0.24 0.90 -1.10 0.00 0.00 0.00 175.10 175.13 3du4 s GLN 221 N 0.94 3.48 -0.00 2.72 -0.21 -0.57 -4.86 119.66 121.15 3du4 s GLN 221 Ca -0.11 0.04 -0.00 0.00 0.02 0.00 0.00 55.36 55.32 3du4 s GLN 221 Cb -0.14 -3.95 -0.00 0.00 1.00 0.00 0.00 33.01 29.92 3du4 s GLN 221 CO 0.00 -1.24 0.28 0.78 -2.12 0.00 0.00 175.29 172.99 3du4 h GLY 222 N 10.53 -0.00 1.79 3.09 0.00 -1.92 0.13 103.07 116.69 3du4 h GLY 222 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3du4 h GLY 222 CO 1.02 -0.00 0.10 0.00 0.00 0.00 0.00 176.54 177.67 3du4 h ALA 223 N -2.00 1.15 -0.02 3.60 0.00 -1.93 0.25 119.26 120.31 3du4 h ALA 223 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3du4 h ALA 223 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3du4 h ALA 223 CO 0.00 -0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.57 3du4 n SER 224 N -3.08 0.65 0.00 0.00 7.64 -1.26 -4.85 113.62 112.73 3du4 n SER 224 Ca -0.03 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.59 3du4 n SER 224 Cb 0.17 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3du4 n SER 224 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3du4 n GLY 225 N 1.05 1.52 3.82 0.23 0.00 -0.13 -4.80 105.19 106.89 3du4 n GLY 225 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3du4 n GLY 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3du4 n MET 226 N -0.08 -2.29 -3.12 1.61 0.00 -0.11 -4.87 117.12 108.25 3du4 n MET 226 Ca 0.00 0.43 -0.43 0.00 0.00 0.00 0.00 57.70 57.69 3du4 n MET 226 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 33.22 28.87 3du4 n MET 226 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3du4 s ILE 227 N -3.69 4.83 0.05 2.02 1.01 0.40 -4.68 121.20 121.14 3du4 s ILE 227 Ca 0.25 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 3du4 s ILE 227 Cb -0.09 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 3du4 s ILE 227 CO 0.87 -0.74 1.18 -0.69 0.00 0.00 0.00 174.94 175.57 3du4 s VAL 228 N 2.78 4.12 0.30 2.92 1.01 -1.26 -1.51 120.40 128.75 3du4 s VAL 228 Ca 0.19 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 3du4 s VAL 228 Cb -0.17 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 3du4 s VAL 228 CO 0.15 0.11 1.13 -0.04 0.00 0.00 0.00 175.10 176.45 3du4 s MET 229 N 1.14 4.52 0.73 2.72 -1.94 0.47 -4.90 119.30 122.03 3du4 s MET 229 Ca 0.58 1.85 -0.14 0.00 -1.71 0.00 0.00 55.69 56.27 3du4 s MET 229 Cb -0.28 -3.09 0.04 0.00 2.01 0.00 0.00 34.83 33.50 3du4 s MET 229 CO 0.29 0.09 1.16 -1.25 -0.01 0.00 0.00 175.02 175.29 3du4 s PRO 230 N -1.63 2.26 0.12 2.03 0.04 -1.26 -4.92 135.00 131.64 3du4 s PRO 230 Ca 0.47 1.57 -0.33 0.00 0.04 0.00 0.00 61.00 62.75 3du4 s PRO 230 Cb -0.32 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 3du4 s PRO 230 CO 0.42 -1.70 1.69 0.39 0.04 0.00 0.00 177.00 177.84 3du4 n GLU 231 N -2.82 2.35 0.00 4.56 1.02 -1.26 -1.76 120.64 122.73 3du4 n GLU 231 Ca 0.12 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 3du4 n GLU 231 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 3du4 n GLU 231 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3du4 n GLY 232 N 3.79 2.11 0.19 0.62 0.00 -1.26 -4.95 105.19 105.69 3du4 n GLY 232 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3du4 n GLY 232 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3du4 h TYR 233 N 0.00 0.66 -0.23 1.61 5.03 -1.70 -2.21 116.97 120.14 3du4 h TYR 233 Ca 0.00 -0.12 -0.12 0.00 2.58 0.00 0.00 58.73 61.07 3du4 h TYR 233 Cb 0.00 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 3du4 h TYR 233 CO 0.00 0.72 -0.33 1.25 -1.32 0.00 0.00 178.16 178.48 3du4 h LEU 234 N 0.41 0.69 -1.14 2.82 6.46 -1.93 -1.83 115.31 120.80 3du4 h LEU 234 Ca 0.10 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3du4 h LEU 234 Cb 0.46 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3du4 h LEU 234 CO 0.02 1.07 0.54 0.00 -0.62 0.00 0.00 178.44 179.44 3du4 h ALA 235 N 0.64 1.36 -0.46 1.25 0.00 -1.82 -1.44 119.26 118.79 3du4 h ALA 235 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3du4 h ALA 235 Cb 0.92 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3du4 h ALA 235 CO 0.08 0.57 -0.04 0.78 0.00 0.00 0.00 179.25 180.64 3du4 h GLY 236 N 1.15 0.84 0.87 0.00 0.00 -1.27 -1.63 103.07 103.04 3du4 h GLY 236 Ca 0.31 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3du4 h GLY 236 CO -0.06 0.54 0.06 -2.08 0.00 0.00 0.00 176.54 175.00 3du4 h VAL 237 N 0.72 1.17 -0.35 4.60 2.07 -0.57 -1.90 116.25 122.00 3du4 h VAL 237 Ca 0.13 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3du4 h VAL 237 Cb 0.50 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3du4 h VAL 237 CO 0.03 0.16 0.07 -0.09 0.02 0.00 0.00 177.57 177.76 3du4 h ARG 238 N 0.12 0.18 -0.33 1.57 9.65 -1.29 -0.89 114.38 123.38 3du4 h ARG 238 Ca 0.06 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 3du4 h ARG 238 Cb 0.20 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 3du4 h ARG 238 CO -0.00 0.12 0.06 1.49 2.80 0.00 0.00 179.97 184.43 3du4 h GLU 239 N 0.18 0.16 0.00 0.20 4.81 -1.20 -0.99 114.58 117.74 3du4 h GLU 239 Ca 0.16 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3du4 h GLU 239 Cb 0.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3du4 h GLU 239 CO -0.22 0.11 -0.35 -0.07 -0.73 0.00 0.00 179.01 177.75 3du4 h LEU 240 N 0.17 0.00 -0.23 1.64 3.38 -0.98 -0.28 115.31 119.01 3du4 h LEU 240 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 3du4 h LEU 240 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3du4 h LEU 240 CO -0.22 0.35 -0.51 0.00 0.09 0.00 0.00 178.44 178.15 3du4 h THR 242 N 0.47 0.51 -0.97 0.00 2.02 -0.87 0.63 112.91 114.70 3du4 h THR 242 Ca 0.00 -0.08 0.20 0.00 0.77 0.00 0.00 66.41 67.30 3du4 h THR 242 Cb 1.12 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 67.99 3du4 h THR 242 CO 0.11 0.01 0.62 0.74 0.37 0.00 0.00 175.52 177.37 3du4 h THR 243 N -0.71 0.68 -0.44 3.16 2.02 -1.05 -1.84 112.91 114.73 3du4 h THR 243 Ca -0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3du4 h THR 243 Cb 0.53 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3du4 h THR 243 CO 0.11 0.11 0.00 -1.22 0.37 0.00 0.00 175.52 174.89 3du4 n TYR 244 N -4.65 1.16 -3.51 3.16 4.01 -0.97 -4.97 117.16 111.40 3du4 n TYR 244 Ca 0.22 -0.69 -0.22 0.00 -0.16 0.00 0.00 57.90 57.05 3du4 n TYR 244 Cb 0.65 -0.25 0.08 0.00 -0.31 0.00 0.00 39.34 39.50 3du4 n TYR 244 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3du4 n ASP 245 N 0.38 -5.60 -4.36 7.72 4.64 -0.69 -4.88 116.55 113.76 3du4 n ASP 245 Ca 0.22 -0.52 -0.33 0.00 -1.38 0.00 0.00 54.79 52.78 3du4 n ASP 245 Cb 0.83 -4.76 -0.15 0.00 -1.04 0.00 0.00 41.12 36.00 3du4 n ASP 245 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3du4 s VAL 246 N -3.30 2.83 0.21 5.18 1.01 0.16 -4.96 120.40 121.54 3du4 s VAL 246 Ca 0.48 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3du4 s VAL 246 Cb -0.21 -2.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 3du4 s VAL 246 CO 0.68 0.55 1.20 -0.76 0.00 0.00 0.00 175.10 176.77 3du4 s LEU 247 N 0.09 4.46 -0.34 3.92 1.43 -1.03 -4.25 118.68 122.97 3du4 s LEU 247 Ca -0.07 2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 55.15 3du4 s LEU 247 Cb -0.15 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 3du4 s LEU 247 CO 0.05 -0.37 0.46 -0.32 0.23 0.00 0.00 176.35 176.40 3du4 s MET 248 N -0.49 3.64 -0.24 1.70 1.75 -1.26 -0.38 119.30 124.02 3du4 s MET 248 Ca 0.52 -0.21 -0.16 0.00 -1.25 0.00 0.00 55.69 54.59 3du4 s MET 248 Cb -0.33 -3.79 -0.04 0.00 2.84 0.00 0.00 34.83 33.51 3du4 s MET 248 CO 0.38 -0.58 0.40 0.42 -0.65 0.00 0.00 175.02 175.00 3du4 s ILE 249 N 2.26 5.17 -0.23 10.11 1.01 0.66 -1.42 121.20 138.76 3du4 s ILE 249 Ca 0.16 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.43 3du4 s ILE 249 Cb -0.16 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3du4 s ILE 249 CO 0.12 0.18 -0.00 -0.69 0.00 0.00 0.00 174.94 174.55 3du4 s VAL 250 N 1.83 3.72 -0.61 2.92 1.01 0.35 -1.47 120.40 128.15 3du4 s VAL 250 Ca 0.17 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 3du4 s VAL 250 Cb -0.15 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.56 3du4 s VAL 250 CO 0.09 0.40 1.10 -0.62 0.00 0.00 0.00 175.10 176.07 3du4 s ASP 251 N 1.49 6.32 -0.15 3.32 -1.08 0.35 -1.14 116.67 125.78 3du4 s ASP 251 Ca 0.06 -0.28 0.16 0.00 -0.52 0.00 0.00 52.55 51.96 3du4 s ASP 251 Cb -0.15 -2.50 0.64 0.00 -1.46 0.00 0.00 42.92 39.46 3du4 s ASP 251 CO -0.01 -1.47 1.56 -0.62 0.52 0.00 0.00 175.17 175.15 3du4 n GLU 252 N 8.24 3.70 -0.23 4.34 -0.58 0.97 -1.83 120.64 135.26 3du4 n GLU 252 Ca 0.04 -2.85 -0.01 0.00 -0.42 0.00 0.00 57.16 53.92 3du4 n GLU 252 Cb 0.48 -1.90 0.11 0.00 -0.57 0.00 0.00 31.44 29.56 3du4 n GLU 252 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3du4 h VAL 253 N 3.17 0.91 0.08 2.62 2.07 -1.83 0.44 116.25 123.70 3du4 h VAL 253 Ca 0.00 -0.21 -0.27 0.00 0.82 0.00 0.00 66.70 67.04 3du4 h VAL 253 Cb 1.50 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3du4 h VAL 253 CO 0.27 0.11 -1.45 0.00 0.02 0.00 0.00 177.57 176.52 3du4 h ALA 254 N 1.37 0.26 0.00 1.67 0.00 -1.90 -3.37 119.26 117.29 3du4 h ALA 254 Ca 0.31 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3du4 h ALA 254 Cb 0.25 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3du4 h ALA 254 CO -0.22 0.87 0.00 1.79 0.00 0.00 0.00 179.25 181.70 3du4 h THR 255 N -0.47 0.00 -4.29 0.00 1.35 -1.85 -3.45 112.91 104.20 3du4 h THR 255 Ca -0.34 -0.84 -0.51 0.00 -0.55 0.00 0.00 66.41 64.17 3du4 h THR 255 Cb 1.65 1.84 0.13 0.00 -1.73 0.00 0.00 68.15 70.04 3du4 h THR 255 CO -0.02 0.00 0.32 -0.83 -0.25 0.00 0.00 175.52 174.74 3du4 s GLY 256 N -4.19 1.76 -0.94 5.82 0.00 0.15 -3.52 107.32 106.40 3du4 s GLY 256 Ca 0.05 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 3du4 s GLY 256 CO 0.63 0.68 0.80 0.69 0.00 0.00 0.00 173.10 175.90 3du4 n PHE 257 N -3.37 -1.93 0.00 1.90 3.72 0.14 -4.00 117.46 113.92 3du4 n PHE 257 Ca 0.09 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.25 3du4 n PHE 257 Cb 0.53 -4.26 0.00 0.00 -0.94 0.00 0.00 39.48 34.81 3du4 n PHE 257 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3du4 n GLY 258 N -1.18 2.40 0.22 1.37 0.00 -0.98 -4.95 105.19 102.07 3du4 n GLY 258 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 3du4 n GLY 258 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3du4 h ARG 259 N 2.77 -0.01 -0.35 1.61 9.65 -1.69 -1.71 114.38 124.65 3du4 h ARG 259 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3du4 h ARG 259 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3du4 h ARG 259 CO 0.00 -0.01 0.00 0.25 2.80 0.00 0.00 179.97 183.01 3du4 n THR 260 N -5.38 0.46 -0.40 0.20 -2.24 -1.25 -0.92 114.28 104.75 3du4 n THR 260 Ca 0.05 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3du4 n THR 260 Cb 0.28 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3du4 n THR 260 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3du4 n GLY 261 N 1.28 0.79 3.27 3.38 0.00 -0.64 -3.58 105.19 109.69 3du4 n GLY 261 Ca 0.17 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3du4 n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3du4 s LYS 262 N -0.65 1.19 0.07 1.61 -0.14 -1.26 -4.67 119.74 115.89 3du4 s LYS 262 Ca 0.00 -1.57 -0.22 0.00 -1.36 0.00 0.00 55.97 52.81 3du4 s LYS 262 Cb 0.00 -0.44 -0.13 0.00 -1.68 0.00 0.00 37.83 35.57 3du4 s LYS 262 CO 0.00 -0.09 1.62 1.98 -0.76 0.00 0.00 175.35 178.10 3du4 h MET 263 N 2.62 0.12 -6.41 1.68 1.85 -1.94 -2.82 114.93 110.04 3du4 h MET 263 Ca -0.37 -0.02 -0.69 0.00 -0.61 0.00 0.00 59.70 58.01 3du4 h MET 263 Cb 1.21 -0.02 -0.30 0.00 0.43 0.00 0.00 31.60 32.92 3du4 h MET 263 CO 0.63 0.23 -0.89 -0.06 -0.40 0.00 0.00 176.91 176.43 3du4 s PHE 264 N -5.60 2.30 0.55 1.39 0.08 -1.26 0.26 117.98 115.70 3du4 s PHE 264 Ca -0.14 -0.50 0.24 0.00 0.12 0.00 0.00 56.93 56.66 3du4 s PHE 264 Cb 0.06 -1.49 1.51 0.00 -0.57 0.00 0.00 43.02 42.53 3du4 s PHE 264 CO 0.68 -0.08 2.13 0.00 -0.10 0.00 0.00 175.22 177.85 3du4 h ALA 265 N 5.64 1.94 0.00 5.36 0.00 -1.82 -1.98 119.26 128.40 3du4 h ALA 265 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3du4 h ALA 265 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3du4 h ALA 265 CO 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3du4 h GLU 267 N 0.00 0.00 -0.93 0.00 5.08 -1.63 -0.89 114.58 116.21 3du4 h GLU 267 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3du4 h GLU 267 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3du4 h GLU 267 CO 0.00 0.02 0.54 0.45 -1.00 0.00 0.00 179.01 179.02 3du4 h HIS 268 N 0.00 1.25 -0.18 4.33 3.86 -1.45 -3.05 115.15 119.90 3du4 h HIS 268 Ca -0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3du4 h HIS 268 Cb 0.10 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 3du4 h HIS 268 CO 0.00 0.84 -0.00 0.39 0.86 0.00 0.00 177.93 180.02 3du4 n GLU 269 N -4.35 2.39 -3.95 2.45 1.02 -1.07 -4.99 120.64 112.14 3du4 n GLU 269 Ca 0.10 -2.77 -0.27 0.00 -0.02 0.00 0.00 57.16 54.20 3du4 n GLU 269 Cb 0.07 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 3du4 n GLU 269 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3du4 n ASN 270 N -0.81 -1.54 -4.83 1.62 4.13 -0.95 -4.63 115.26 108.25 3du4 n ASN 270 Ca 0.20 -0.95 -0.36 0.00 1.68 0.00 0.00 54.58 55.15 3du4 n ASN 270 Cb 0.82 -3.27 -0.07 0.00 -1.54 0.00 0.00 39.78 35.72 3du4 n ASN 270 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3du4 s VAL 271 N -3.71 5.46 -0.41 2.41 0.11 -0.38 -5.01 120.40 118.87 3du4 s VAL 271 Ca 0.22 0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 59.32 3du4 s VAL 271 Cb -0.11 -3.41 0.03 0.00 -1.53 0.00 0.00 36.38 31.35 3du4 s VAL 271 CO 0.88 0.56 0.29 -1.10 -3.33 0.00 0.00 175.10 172.40 3du4 s GLN 272 N -0.60 2.94 0.65 1.54 -1.52 -1.26 -4.68 119.66 116.73 3du4 s GLN 272 Ca 0.13 -1.07 -0.14 0.00 -1.95 0.00 0.00 55.36 52.33 3du4 s GLN 272 Cb -0.12 -3.95 -0.01 0.00 -0.22 0.00 0.00 33.01 28.71 3du4 s GLN 272 CO 0.02 -0.77 1.07 -2.14 -0.25 0.00 0.00 175.29 173.22 3du4 s PRO 273 N 1.65 3.02 -0.00 2.91 0.02 -1.26 -4.97 135.00 136.37 3du4 s PRO 273 Ca 0.04 1.18 -0.19 0.00 0.02 0.00 0.00 61.00 62.05 3du4 s PRO 273 Cb -0.20 -1.99 -0.30 0.00 0.02 0.00 0.00 34.50 32.04 3du4 s PRO 273 CO 0.09 -1.05 1.01 -0.44 -0.33 0.00 0.00 177.00 176.28 3du4 h ASP 274 N -0.07 0.64 -3.77 2.53 3.32 -1.62 -3.43 116.42 114.02 3du4 h ASP 274 Ca -0.46 -0.87 -0.40 0.00 0.02 0.00 0.00 57.03 55.32 3du4 h ASP 274 Cb 1.22 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.26 3du4 h ASP 274 CO 0.56 1.45 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.99 3du4 s LEU 275 N -7.95 1.75 -0.07 1.55 1.43 -0.90 -2.78 118.68 111.70 3du4 s LEU 275 Ca -0.12 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3du4 s LEU 275 Cb 0.03 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.81 3du4 s LEU 275 CO 0.87 0.04 0.00 -0.32 0.23 0.00 0.00 176.35 177.17 3du4 s MET 276 N 0.26 0.58 0.00 1.70 1.75 -0.49 -0.50 119.30 122.60 3du4 s MET 276 Ca -0.04 0.11 -0.19 0.00 -1.25 0.00 0.00 55.69 54.33 3du4 s MET 276 Cb -0.08 -0.93 -0.06 0.00 2.84 0.00 0.00 34.83 36.60 3du4 s MET 276 CO 0.00 -0.29 0.54 0.00 -0.65 0.00 0.00 175.02 174.62 3du4 s ALA 277 N 1.92 3.55 0.12 4.11 0.00 -0.29 -0.75 121.76 130.42 3du4 s ALA 277 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 3du4 s ALA 277 Cb -0.12 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 3du4 s ALA 277 CO -0.05 0.27 0.06 0.00 0.00 0.00 0.00 175.76 176.04 3du4 s ALA 278 N -0.51 0.72 0.00 0.00 0.00 -0.19 -0.02 121.76 121.76 3du4 s ALA 278 Ca 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3du4 s ALA 278 Cb -0.18 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3du4 s ALA 278 CO 0.16 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3du4 n GLY 279 N -0.07 -0.92 5.91 0.00 0.00 -1.26 -2.37 105.19 106.49 3du4 n GLY 279 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3du4 n GLY 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du4 n LYS 280 N 0.00 0.00 0.00 1.61 5.02 -1.26 -0.98 118.16 122.55 3du4 n LYS 280 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3du4 n LYS 280 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 35.03 35.54 3du4 n LYS 280 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3du4 n GLY 281 N 0.00 -0.68 0.34 0.72 0.00 -1.25 -3.64 105.19 100.68 3du4 n GLY 281 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3du4 n GLY 281 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3du4 h ILE 282 N 0.00 0.90 -0.62 -0.61 2.10 -1.35 -0.52 117.51 117.41 3du4 h ILE 282 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 3du4 h ILE 282 Cb 0.00 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 3du4 h ILE 282 CO 0.00 0.05 0.00 0.35 -1.08 0.00 0.00 178.15 177.47 3du4 n THR 283 N -4.46 1.74 -0.85 2.19 -2.24 -1.24 -4.45 114.28 104.97 3du4 n THR 283 Ca 0.07 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 3du4 n THR 283 Cb 0.35 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3du4 n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3du4 n GLY 284 N 1.04 0.47 0.21 3.38 0.00 -0.20 -2.78 105.19 107.30 3du4 n GLY 284 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3du4 n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3du4 n GLY 285 N -1.76 0.94 0.14 -0.02 0.00 -0.81 -1.87 105.19 101.82 3du4 n GLY 285 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3du4 n GLY 285 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3du4 n TYR 286 N -2.10 1.25 -3.89 1.61 4.02 -1.12 -4.79 117.16 112.14 3du4 n TYR 286 Ca 0.00 0.27 -0.09 0.00 -0.01 0.00 0.00 57.90 58.07 3du4 n TYR 286 Cb 0.00 -1.16 -0.07 0.00 -0.02 0.00 0.00 39.34 38.08 3du4 n TYR 286 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3du4 s LEU 287 N -7.06 1.47 -0.74 7.72 1.43 -1.26 -5.11 118.68 115.12 3du4 s LEU 287 Ca -0.23 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 51.91 3du4 s LEU 287 Cb 0.07 0.97 0.05 0.00 0.03 0.00 0.00 46.19 47.30 3du4 s LEU 287 CO 0.76 -0.73 1.19 -2.16 0.23 0.00 0.00 176.35 175.64 3du4 s PRO 288 N -3.88 3.21 -0.02 1.29 0.04 -1.26 -4.66 135.00 129.72 3du4 s PRO 288 Ca 0.07 -0.55 0.04 0.00 0.04 0.00 0.00 61.00 60.60 3du4 s PRO 288 Cb 0.05 -4.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.27 3du4 s PRO 288 CO -0.10 -2.04 -0.12 0.42 0.04 0.00 0.00 177.00 175.20 3du4 s ILE 289 N 5.06 0.98 0.17 0.56 -1.09 -1.24 -4.69 121.20 120.94 3du4 s ILE 289 Ca 0.32 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 3du4 s ILE 289 Cb -0.10 -0.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 3du4 s ILE 289 CO 0.11 0.28 0.03 0.00 -1.23 0.00 0.00 174.94 174.13 3du4 s ALA 290 N -0.17 1.20 -0.02 9.38 0.00 0.13 -4.40 121.76 127.87 3du4 s ALA 290 Ca 0.03 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 3du4 s ALA 290 Cb -0.06 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.80 3du4 s ALA 290 CO -0.00 -0.40 0.05 0.08 0.00 0.00 0.00 175.76 175.49 3du4 s VAL 291 N -3.83 -0.01 -0.30 0.00 1.01 -1.00 -1.40 120.40 114.88 3du4 s VAL 291 Ca 0.26 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 3du4 s VAL 291 Cb 0.07 -0.08 0.03 0.00 0.00 0.00 0.00 36.38 36.39 3du4 s VAL 291 CO 0.04 0.01 0.04 -0.89 0.00 0.00 0.00 175.10 174.30 3du4 s THR 292 N 0.15 3.46 0.19 3.92 2.01 -0.32 -1.02 115.64 124.03 3du4 s THR 292 Ca -0.01 -1.05 -0.25 0.00 0.31 0.00 0.00 61.69 60.69 3du4 s THR 292 Cb -0.02 -2.88 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 3du4 s THR 292 CO -0.00 -0.02 0.79 -0.36 -0.69 0.00 0.00 174.62 174.34 3du4 s PHE 293 N 1.38 3.86 0.05 4.92 0.40 0.07 -1.10 117.98 127.55 3du4 s PHE 293 Ca -0.01 1.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.96 3du4 s PHE 293 Cb -0.18 -2.77 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 3du4 s PHE 293 CO 0.00 0.46 -0.05 0.00 0.70 0.00 0.00 175.22 176.33 3du4 s ALA 294 N -1.25 0.54 1.02 5.36 0.00 -0.84 -1.40 121.76 125.19 3du4 s ALA 294 Ca 0.38 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 3du4 s ALA 294 Cb -0.22 0.14 0.20 0.00 0.00 0.00 0.00 23.12 23.24 3du4 s ALA 294 CO 0.26 -0.17 1.12 0.95 0.00 0.00 0.00 175.76 177.91 3du4 s THR 295 N -2.42 1.92 -0.00 0.00 -4.23 -1.12 -1.62 115.64 108.17 3du4 s THR 295 Ca -0.03 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 3du4 s THR 295 Cb -0.03 -2.59 -0.11 0.00 1.34 0.00 0.00 72.50 71.11 3du4 s THR 295 CO -0.03 0.00 1.27 -0.08 -0.54 0.00 0.00 174.62 175.23 3du4 h GLU 296 N -1.93 0.00 -0.95 3.99 4.57 -1.94 -2.75 114.58 115.57 3du4 h GLU 296 Ca -0.51 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3du4 h GLU 296 Cb 1.32 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.86 3du4 h GLU 296 CO 0.53 0.75 0.62 0.22 -1.18 0.00 0.00 179.01 179.95 3du4 h ASP 297 N 0.00 1.04 -0.02 1.04 -0.00 -1.93 -0.61 116.42 115.94 3du4 h ASP 297 Ca -0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 56.91 3du4 h ASP 297 Cb 1.64 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 40.73 3du4 h ASP 297 CO 0.10 0.72 -0.27 0.40 -0.00 0.00 0.00 179.24 180.18 3du4 h ILE 298 N 1.21 1.50 -0.84 2.25 2.04 -1.94 -3.22 117.51 118.51 3du4 h ILE 298 Ca 0.37 -1.86 0.17 0.00 1.00 0.00 0.00 64.86 64.54 3du4 h ILE 298 Cb -0.02 2.62 -0.11 0.00 -0.74 0.00 0.00 36.82 38.57 3du4 h ILE 298 CO -0.11 0.52 0.38 0.22 0.00 0.00 0.00 178.15 179.16 3du4 h TYR 299 N -0.39 0.64 0.00 1.37 3.20 -1.38 -2.43 116.97 117.97 3du4 h TYR 299 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3du4 h TYR 299 Cb 0.99 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.10 3du4 h TYR 299 CO 0.16 0.06 0.00 0.36 -1.64 0.00 0.00 178.16 177.10 3du4 n LYS 300 N -4.98 0.07 0.00 1.82 2.85 -0.25 -2.64 118.16 115.05 3du4 n LYS 300 Ca 0.18 0.13 0.15 0.00 -1.05 0.00 0.00 58.31 57.72 3du4 n LYS 300 Cb 0.51 -1.60 0.72 0.00 -0.65 0.00 0.00 35.03 34.01 3du4 n LYS 300 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3du4 n ALA 301 N -1.59 2.67 -0.01 0.58 0.00 -0.92 -2.86 120.51 118.38 3du4 n ALA 301 Ca 0.06 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.28 3du4 n ALA 301 Cb 0.32 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.42 3du4 n ALA 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3du4 n PHE 302 N -0.95 0.15 -3.91 0.00 3.72 -1.08 -4.76 117.46 110.62 3du4 n PHE 302 Ca 0.17 -0.38 -0.35 0.00 -0.05 0.00 0.00 57.45 56.83 3du4 n PHE 302 Cb 0.24 -0.03 -0.14 0.00 -0.94 0.00 0.00 39.48 38.61 3du4 n PHE 302 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3du4 s TYR 303 N -0.86 3.02 0.00 1.38 5.04 -1.14 -4.01 117.35 120.79 3du4 s TYR 303 Ca 0.09 -1.21 0.00 0.00 -2.44 0.00 0.00 57.07 53.50 3du4 s TYR 303 Cb 0.05 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.25 3du4 s TYR 303 CO 0.06 -0.63 0.00 -3.47 -1.34 0.00 0.00 175.55 170.17 3du4 n ASP 304 N 4.75 0.00 -4.69 4.32 4.64 -1.26 -4.96 116.55 119.35 3du4 n ASP 304 Ca -0.17 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 52.81 3du4 n ASP 304 Cb 0.49 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.56 3du4 n ASP 304 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3du4 n ASP 305 N 0.00 2.70 -0.13 1.67 8.00 -1.26 -4.87 116.55 122.66 3du4 n ASP 305 Ca 0.00 1.19 0.22 0.00 0.71 0.00 0.00 54.79 56.90 3du4 n ASP 305 Cb 0.00 -1.46 0.63 0.00 -0.02 0.00 0.00 41.12 40.27 3du4 n ASP 305 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3du4 h TYR 306 N 3.03 0.19 0.00 1.24 3.20 -2.00 -2.44 116.97 120.19 3du4 h TYR 306 Ca -0.45 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.30 3du4 h TYR 306 Cb 1.28 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3du4 h TYR 306 CO 0.52 0.06 -0.56 1.05 -1.64 0.00 0.00 178.16 177.59 3du4 h GLU 307 N 0.15 0.00 -5.81 1.82 9.09 -2.06 -3.35 114.58 114.43 3du4 h GLU 307 Ca 0.37 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 59.17 3du4 h GLU 307 Cb 1.23 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.21 3du4 h GLU 307 CO -0.06 0.56 1.01 -0.80 0.05 0.00 0.00 179.01 179.77 3du4 s ASN 308 N -6.63 6.34 -1.12 3.06 0.01 -0.92 -4.92 114.94 110.75 3du4 s ASN 308 Ca 0.00 -1.15 -0.22 0.00 -0.71 0.00 0.00 52.86 50.78 3du4 s ASN 308 Cb 0.11 -2.50 -0.08 0.00 0.41 0.00 0.00 41.25 39.19 3du4 s ASN 308 CO 0.74 -1.51 1.92 0.18 -1.51 0.00 0.00 177.10 176.92 3du4 n LEU 309 N 8.30 3.58 0.05 0.60 4.32 -1.26 -4.61 117.00 127.98 3du4 n LEU 309 Ca 0.13 -3.23 0.11 0.00 -0.02 0.00 0.00 56.01 53.01 3du4 n LEU 309 Cb 0.49 -1.61 0.06 0.00 -1.62 0.00 0.00 43.42 40.73 3du4 n LEU 309 CO 0.64 -1.24 0.08 0.29 -1.22 0.00 0.00 177.39 175.94 3du4 n LYS 310 N 7.98 0.34 -1.76 3.23 4.76 -1.26 -5.00 118.16 126.46 3du4 n LYS 310 Ca 0.46 0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.54 3du4 n LYS 310 Cb 0.45 -1.65 0.03 0.00 -1.84 0.00 0.00 35.03 32.02 3du4 n LYS 310 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3du4 s THR 311 N -3.22 2.00 -0.62 -0.18 2.01 -1.26 -4.38 115.64 109.99 3du4 s THR 311 Ca 0.03 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.79 3du4 s THR 311 Cb 0.13 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.69 3du4 s THR 311 CO 0.78 0.00 1.05 0.12 -0.69 0.00 0.00 174.62 175.88 3du4 s PHE 312 N -1.23 2.63 -1.29 4.92 5.36 -1.26 -4.96 117.98 122.15 3du4 s PHE 312 Ca 0.66 -0.11 -0.12 0.00 -0.96 0.00 0.00 56.93 56.40 3du4 s PHE 312 Cb -0.43 -4.30 0.14 0.00 -0.34 0.00 0.00 43.02 38.09 3du4 s PHE 312 CO 0.53 -1.61 1.78 1.19 -1.46 0.00 0.00 175.22 175.66 3du4 n PHE 313 N 8.04 3.80 -3.68 10.12 3.01 -1.26 -4.88 117.46 132.62 3du4 n PHE 313 Ca 0.01 -2.99 -0.14 0.00 1.01 0.00 0.00 57.45 55.34 3du4 n PHE 313 Cb 0.47 -2.17 -0.08 0.00 -0.01 0.00 0.00 39.48 37.69 3du4 n PHE 313 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3du4 s HIS 314 N 1.50 -0.51 0.00 1.38 2.46 -1.26 -5.16 115.29 113.70 3du4 s HIS 314 Ca 0.43 1.13 0.00 0.00 0.47 0.00 0.00 55.06 57.09 3du4 s HIS 314 Cb 0.06 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.73 3du4 s HIS 314 CO -0.00 -0.36 0.00 0.41 -2.47 0.00 0.00 174.74 172.32 3du4 n GLY 315 N 2.14 1.88 3.74 1.59 0.00 -1.26 -5.16 105.19 108.13 3du4 n GLY 315 Ca -0.16 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3du4 n GLY 315 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3du4 s HIS 316 N 0.00 2.37 0.07 1.61 3.76 -1.26 -4.95 115.29 116.89 3du4 s HIS 316 Ca 0.00 1.58 0.22 0.00 -0.15 0.00 0.00 55.06 56.71 3du4 s HIS 316 Cb 0.00 -3.11 0.73 0.00 1.11 0.00 0.00 32.58 31.31 3du4 s HIS 316 CO 0.00 -2.05 1.74 0.66 -0.85 0.00 0.00 174.74 174.24 3du4 h SER 317 N -1.32 0.00 -0.42 1.40 4.64 -2.01 -3.01 113.55 112.84 3du4 h SER 317 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3du4 h SER 317 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3du4 h SER 317 CO 0.50 0.28 0.00 -1.22 -0.87 0.00 0.00 176.83 175.52 3du4 n TYR 318 N -3.37 0.54 -1.64 4.77 4.01 -1.26 -4.82 117.16 115.39 3du4 n TYR 318 Ca 0.01 -0.27 -0.63 0.00 -0.16 0.00 0.00 57.90 56.84 3du4 n TYR 318 Cb 0.49 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.43 3du4 n TYR 318 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3du4 n THR 319 N 1.22 0.02 -1.14 -0.72 -1.04 -1.14 -1.01 114.28 110.47 3du4 n THR 319 Ca 0.19 -0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.15 3du4 n THR 319 Cb 0.53 -0.36 -0.02 0.00 -1.82 0.00 0.00 70.33 68.66 3du4 n THR 319 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3du4 n GLY 320 N 2.94 0.73 2.81 3.41 0.00 -1.26 -3.93 105.19 109.89 3du4 n GLY 320 Ca 0.26 -0.41 -0.50 0.00 0.00 0.00 0.00 46.02 45.37 3du4 n GLY 320 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3du4 n ASN 321 N 0.27 0.59 -0.08 1.61 5.15 -0.18 -4.52 115.26 118.11 3du4 n ASN 321 Ca -0.05 0.91 -0.09 0.00 -0.60 0.00 0.00 54.58 54.75 3du4 n ASN 321 Cb 0.24 -0.69 -0.01 0.00 -0.53 0.00 0.00 39.78 38.78 3du4 n ASN 321 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3du4 h GLN 322 N 3.29 0.34 -0.02 1.20 7.50 -1.83 0.30 115.11 125.90 3du4 h GLN 322 Ca -0.36 -0.02 0.03 0.00 0.50 0.00 0.00 58.65 58.80 3du4 h GLN 322 Cb 1.07 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 28.48 3du4 h GLN 322 CO 0.66 0.23 -0.24 -0.07 -1.50 0.00 0.00 178.83 177.91 3du4 h LEU 323 N 0.35 -0.71 -0.51 1.46 4.07 -1.79 0.79 115.31 118.98 3du4 h LEU 323 Ca 0.11 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 3du4 h LEU 323 Cb -0.01 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3du4 h LEU 323 CO -0.05 -0.30 0.25 1.23 -1.08 0.00 0.00 178.44 178.48 3du4 h GLY 324 N -0.36 0.78 1.04 0.83 0.00 -1.88 -2.57 103.07 100.91 3du4 h GLY 324 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3du4 h GLY 324 CO -0.22 0.36 0.35 0.00 0.00 0.00 0.00 176.54 177.03 3du4 h ALA 326 N 1.19 0.65 -0.14 0.00 0.00 0.63 -1.25 119.26 120.33 3du4 h ALA 326 Ca 0.27 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3du4 h ALA 326 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3du4 h ALA 326 CO -0.03 0.19 -0.55 -0.24 0.00 0.00 0.00 179.25 178.63 3du4 h VAL 327 N 0.67 1.34 -0.51 0.00 3.04 -1.24 -2.84 116.25 116.71 3du4 h VAL 327 Ca 0.18 -1.82 -0.03 0.00 -1.01 0.00 0.00 66.70 64.02 3du4 h VAL 327 Cb 0.08 1.83 -0.02 0.00 -2.01 0.00 0.00 31.29 31.17 3du4 h VAL 327 CO -0.03 0.55 0.19 0.00 -1.01 0.00 0.00 177.57 177.28 3du4 h ALA 328 N 1.09 0.67 -0.34 3.17 0.00 -1.08 0.51 119.26 123.29 3du4 h ALA 328 Ca 0.01 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3du4 h ALA 328 Cb 1.06 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3du4 h ALA 328 CO 0.09 0.30 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 3du4 h LEU 329 N 0.70 -0.13 -0.97 0.00 3.38 -1.13 -1.60 115.31 115.55 3du4 h LEU 329 Ca 0.17 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 3du4 h LEU 329 Cb 0.22 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3du4 h LEU 329 CO -0.01 -0.03 -0.11 -0.08 0.09 0.00 0.00 178.44 178.29 3du4 h GLU 330 N 0.10 0.62 -0.75 1.13 4.57 -1.41 -2.11 114.58 116.72 3du4 h GLU 330 Ca 0.16 -0.19 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3du4 h GLU 330 Cb 0.22 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 3du4 h GLU 330 CO -0.27 0.72 0.41 -0.97 -1.18 0.00 0.00 179.01 177.72 3du4 h ASN 331 N 0.57 0.58 0.48 1.04 -0.00 -0.36 -1.89 115.58 116.01 3du4 h ASN 331 Ca 0.10 0.05 -0.21 0.00 -0.00 0.00 0.00 56.30 56.24 3du4 h ASN 331 Cb 0.53 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 3du4 h ASN 331 CO 0.03 0.34 -0.90 -0.07 -0.00 0.00 0.00 177.43 176.84 3du4 h LEU 332 N 0.71 0.36 -0.77 0.34 3.38 -1.02 -2.60 115.31 115.72 3du4 h LEU 332 Ca 0.36 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3du4 h LEU 332 Cb 0.32 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3du4 h LEU 332 CO -0.24 1.09 0.49 0.00 0.09 0.00 0.00 178.44 179.87 3du4 h ALA 333 N 0.89 1.00 -0.68 1.53 0.00 -1.18 -2.57 119.26 118.24 3du4 h ALA 333 Ca -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3du4 h ALA 333 Cb 1.53 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3du4 h ALA 333 CO 0.14 0.31 0.44 -0.07 0.00 0.00 0.00 179.25 180.07 3du4 h LEU 334 N 0.97 0.74 -2.00 0.00 3.38 -1.18 -0.54 115.31 116.68 3du4 h LEU 334 Ca 0.30 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.44 3du4 h LEU 334 Cb -0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3du4 h LEU 334 CO -0.10 0.53 0.46 -0.26 0.09 0.00 0.00 178.44 179.15 3du4 h PHE 335 N 0.88 0.00 0.01 1.13 0.04 -1.07 0.17 116.94 118.10 3du4 h PHE 335 Ca 0.26 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.89 3du4 h PHE 335 Cb -0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3du4 h PHE 335 CO -0.04 0.00 -0.79 1.49 -0.60 0.00 0.00 178.31 178.37 3du4 h GLU 336 N 0.00 0.02 0.00 1.51 4.57 -1.08 -2.44 114.58 117.16 3du4 h GLU 336 Ca 0.30 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3du4 h GLU 336 Cb 1.21 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3du4 h GLU 336 CO -0.00 1.01 -0.09 -1.13 -1.18 0.00 0.00 179.01 177.62 3du4 n SER 337 N -4.47 0.27 -0.21 1.04 3.41 -0.30 -3.36 113.62 110.01 3du4 n SER 337 Ca -0.23 0.41 0.02 0.00 -0.26 0.00 0.00 58.87 58.81 3du4 n SER 337 Cb 0.62 -0.44 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3du4 n SER 337 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3du4 n GLU 338 N -1.69 1.47 -3.67 4.33 4.07 0.59 -5.02 120.64 120.71 3du4 n GLU 338 Ca 0.06 -1.28 -0.21 0.00 -0.06 0.00 0.00 57.16 55.67 3du4 n GLU 338 Cb 0.36 -1.09 -0.04 0.00 -0.06 0.00 0.00 31.44 30.61 3du4 n GLU 338 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3du4 n ASN 339 N 0.03 -0.12 -0.21 4.31 4.13 -1.03 -4.81 115.26 117.57 3du4 n ASN 339 Ca 0.03 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.53 3du4 n ASN 339 Cb 0.22 -0.95 0.11 0.00 -1.54 0.00 0.00 39.78 37.62 3du4 n ASN 339 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3du4 h ILE 340 N -0.60 0.77 -0.40 2.41 1.08 -1.68 -1.44 117.51 117.65 3du4 h ILE 340 Ca -0.40 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 3du4 h ILE 340 Cb 0.84 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 3du4 h ILE 340 CO 0.40 0.08 0.10 0.58 -0.69 0.00 0.00 178.15 178.61 3du4 h VAL 341 N 0.42 1.23 -0.51 1.67 2.07 -1.88 0.14 116.25 119.39 3du4 h VAL 341 Ca 0.32 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 3du4 h VAL 341 Cb 0.39 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3du4 h VAL 341 CO -0.31 0.27 -0.07 -0.33 0.02 0.00 0.00 177.57 177.15 3du4 h GLU 342 N 0.50 0.92 -0.62 1.57 4.39 -1.76 -1.65 114.58 117.93 3du4 h GLU 342 Ca 0.12 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 3du4 h GLU 342 Cb 0.31 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3du4 h GLU 342 CO 0.00 0.95 0.20 1.96 -1.16 0.00 0.00 179.01 180.96 3du4 h GLN 343 N 0.83 0.95 -0.18 2.33 4.20 -0.96 -1.56 115.11 120.72 3du4 h GLN 343 Ca 0.14 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3du4 h GLN 343 Cb 0.59 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3du4 h GLN 343 CO 0.04 0.81 0.00 0.28 -0.67 0.00 0.00 178.83 179.29 3du4 h VAL 344 N 0.92 1.25 -0.76 -0.54 2.07 -0.49 -1.69 116.25 117.01 3du4 h VAL 344 Ca 0.21 -0.85 0.10 0.00 0.82 0.00 0.00 66.70 66.97 3du4 h VAL 344 Cb 0.26 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3du4 h VAL 344 CO -0.01 0.26 0.40 0.00 0.02 0.00 0.00 177.57 178.24 3du4 h ALA 345 N 0.78 1.06 0.44 1.67 0.00 -1.22 -1.09 119.26 120.90 3du4 h ALA 345 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3du4 h ALA 345 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3du4 h ALA 345 CO 0.01 0.01 -0.21 0.93 0.00 0.00 0.00 179.25 179.99 3du4 h GLU 346 N 0.67 -0.56 -0.10 0.00 4.39 -1.24 -3.15 114.58 114.59 3du4 h GLU 346 Ca 0.37 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.14 3du4 h GLU 346 Cb 0.38 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3du4 h GLU 346 CO -0.26 -0.26 0.14 0.87 -1.16 0.00 0.00 179.01 178.35 3du4 h LYS 347 N -0.92 0.00 0.00 2.33 1.57 -1.24 -1.50 116.57 116.80 3du4 h LYS 347 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3du4 h LYS 347 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3du4 h LYS 347 CO 0.10 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.41 3du4 n SER 348 N -3.57 0.73 0.04 0.86 7.64 -0.42 -2.47 113.62 116.43 3du4 n SER 348 Ca -0.00 0.65 -0.09 0.00 1.01 0.00 0.00 58.87 60.43 3du4 n SER 348 Cb 0.24 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.56 3du4 n SER 348 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3du4 h LYS 349 N 0.00 -0.20 -0.45 1.43 1.57 -1.35 -2.78 116.57 114.79 3du4 h LYS 349 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3du4 h LYS 349 Cb 0.45 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3du4 h LYS 349 CO 0.00 0.19 0.11 -0.22 -0.57 0.00 0.00 179.45 178.96 3du4 h LYS 350 N -0.93 0.67 -0.74 3.15 1.63 -1.72 -3.03 116.57 115.60 3du4 h LYS 350 Ca -0.02 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3du4 h LYS 350 Cb 0.48 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 3du4 h LYS 350 CO 0.04 0.61 0.49 1.25 -3.45 0.00 0.00 179.45 178.39 3du4 h LEU 351 N 0.65 0.85 -1.47 5.20 6.46 -1.54 -0.05 115.31 125.41 3du4 h LEU 351 Ca 0.15 -0.02 0.19 0.00 -0.12 0.00 0.00 57.88 58.08 3du4 h LEU 351 Cb 0.24 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 39.90 3du4 h LEU 351 CO -0.00 0.61 0.59 -0.74 -0.62 0.00 0.00 178.44 178.28 3du4 h HIS 352 N 1.00 0.58 -0.14 1.25 2.76 -1.36 -1.22 115.15 118.03 3du4 h HIS 352 Ca 0.27 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.23 3du4 h HIS 352 Cb -0.11 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 28.68 3du4 h HIS 352 CO -0.02 0.16 -0.81 0.74 -1.30 0.00 0.00 177.93 176.70 3du4 h PHE 353 N 0.45 1.08 -0.64 5.26 0.04 -1.08 -1.54 116.94 120.50 3du4 h PHE 353 Ca 0.47 -0.49 0.09 0.00 2.80 0.00 0.00 57.97 60.84 3du4 h PHE 353 Cb 1.10 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 39.01 3du4 h PHE 353 CO -0.00 1.32 0.26 -0.07 -0.60 0.00 0.00 178.31 179.22 3du4 h LEU 354 N 0.53 0.29 -0.58 1.54 3.38 -0.80 -2.25 115.31 117.41 3du4 h LEU 354 Ca -0.06 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3du4 h LEU 354 Cb 1.44 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3du4 h LEU 354 CO 0.17 0.17 -0.46 -0.07 0.09 0.00 0.00 178.44 178.33 3du4 h LEU 355 N 0.46 0.00 -0.69 1.67 3.38 -1.16 -2.64 115.31 116.33 3du4 h LEU 355 Ca 0.32 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.15 3du4 h LEU 355 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3du4 h LEU 355 CO -0.30 0.46 -0.64 1.56 0.09 0.00 0.00 178.44 179.61 3du4 h GLN 356 N 0.00 0.05 -0.29 1.13 7.50 -0.97 -2.59 115.11 119.94 3du4 h GLN 356 Ca -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 3du4 h GLN 356 Cb 1.11 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.64 3du4 h GLN 356 CO 0.06 0.68 0.11 0.22 -1.50 0.00 0.00 178.83 178.39 3du4 h ASP 357 N 0.04 0.41 -0.96 1.46 3.58 -1.20 -2.47 116.42 117.28 3du4 h ASP 357 Ca -0.01 -0.18 0.29 0.00 0.42 0.00 0.00 57.03 57.56 3du4 h ASP 357 Cb 1.14 -0.11 -0.15 0.00 1.72 0.00 0.00 39.33 41.94 3du4 h ASP 357 CO 0.09 0.48 0.42 0.25 -2.88 0.00 0.00 179.24 177.59 3du4 h LEU 358 N 0.32 0.27 -2.32 2.28 6.46 -1.29 0.92 115.31 121.95 3du4 h LEU 358 Ca 0.10 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.09 3du4 h LEU 358 Cb 0.20 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3du4 h LEU 358 CO -0.01 -0.16 0.19 -0.74 -0.62 0.00 0.00 178.44 177.10 3du4 h HIS 359 N 0.26 0.00 0.00 1.25 2.76 -1.05 -2.13 115.15 116.23 3du4 h HIS 359 Ca 0.67 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.84 3du4 h HIS 359 Cb 1.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.43 3du4 h HIS 359 CO -0.13 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.50 3du4 h ALA 360 N 1.72 1.00 -2.79 5.26 0.00 -0.85 -3.44 119.26 120.16 3du4 h ALA 360 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.45 3du4 h ALA 360 Cb 0.44 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.29 3du4 h ALA 360 CO -0.00 0.00 0.54 -0.51 0.00 0.00 0.00 179.25 179.28 3du4 s LEU 361 N -5.32 4.30 0.55 0.00 1.43 -0.80 -4.92 118.68 113.91 3du4 s LEU 361 Ca -0.01 2.45 0.25 0.00 -1.03 0.00 0.00 54.13 55.79 3du4 s LEU 361 Cb 0.09 -3.87 1.45 0.00 0.03 0.00 0.00 46.19 43.89 3du4 s LEU 361 CO 0.38 -0.59 2.04 -0.65 0.23 0.00 0.00 176.35 177.76 3du4 h PRO 362 N 2.96 0.00 -0.18 1.29 0.11 -1.91 -2.90 132.00 131.37 3du4 h PRO 362 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3du4 h PRO 362 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3du4 h PRO 362 CO 0.64 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.15 3du4 n HIS 363 N -4.22 0.24 -3.06 0.65 8.25 -1.26 -4.13 115.22 111.69 3du4 n HIS 363 Ca 0.05 -0.43 -0.44 0.00 -0.26 0.00 0.00 57.72 56.65 3du4 n HIS 363 Cb 0.45 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 3du4 n HIS 363 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3du4 s VAL 364 N -0.94 4.72 0.04 1.59 1.01 -1.10 -0.77 120.40 124.96 3du4 s VAL 364 Ca 0.13 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3du4 s VAL 364 Cb 0.07 -4.41 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 3du4 s VAL 364 CO 0.09 -0.98 0.99 1.23 0.00 0.00 0.00 175.10 176.44 3du4 h GLY 365 N 10.14 0.01 -4.69 4.51 0.00 -1.23 -3.46 103.07 108.35 3du4 h GLY 365 Ca -0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3du4 h GLY 365 CO 1.03 0.02 -0.04 -0.35 0.00 0.00 0.00 176.54 177.20 3du4 s ASP 366 N -6.45 -0.52 -0.15 0.19 2.15 -1.15 -5.01 116.67 105.75 3du4 s ASP 366 Ca -0.02 0.78 0.02 0.00 0.43 0.00 0.00 52.55 53.76 3du4 s ASP 366 Cb 0.09 0.79 0.01 0.00 -0.30 0.00 0.00 42.92 43.51 3du4 s ASP 366 CO 0.82 -0.36 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.63 3du4 s ILE 367 N -0.46 2.18 -0.06 4.11 -1.09 -1.26 -1.13 121.20 123.49 3du4 s ILE 367 Ca -0.06 -0.93 0.06 0.00 -2.23 0.00 0.00 60.65 57.49 3du4 s ILE 367 Cb -0.03 -1.89 -0.01 0.00 -1.58 0.00 0.00 42.46 38.95 3du4 s ILE 367 CO 0.04 0.54 -0.24 -0.13 -1.23 0.00 0.00 174.94 173.92 3du4 s ARG 368 N 0.87 2.54 -0.16 2.79 0.52 0.13 -4.99 118.95 120.65 3du4 s ARG 368 Ca -0.05 -0.89 -0.15 0.00 -0.52 0.00 0.00 55.73 54.12 3du4 s ARG 368 Cb -0.15 -2.18 0.04 0.00 0.52 0.00 0.00 34.95 33.19 3du4 s ARG 368 CO -0.03 0.40 0.43 -1.14 0.02 0.00 0.00 175.30 174.98 3du4 s GLN 369 N -0.21 0.49 -0.25 3.54 0.74 -1.26 -0.42 119.66 122.30 3du4 s GLN 369 Ca -0.02 0.61 -0.03 0.00 0.05 0.00 0.00 55.36 55.97 3du4 s GLN 369 Cb -0.13 0.23 0.11 0.00 1.10 0.00 0.00 33.01 34.31 3du4 s GLN 369 CO 0.03 -0.07 0.22 -1.17 -0.55 0.00 0.00 175.29 173.76 3du4 s LEU 370 N 0.30 -0.01 0.00 3.68 2.96 -0.89 -5.00 118.68 119.73 3du4 s LEU 370 Ca -0.01 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3du4 s LEU 370 Cb -0.03 0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.92 3du4 s LEU 370 CO -0.00 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3du4 n GLY 371 N 5.30 2.71 2.01 7.98 0.00 -1.24 -2.07 105.19 119.89 3du4 n GLY 371 Ca -0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 3du4 n GLY 371 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3du4 n PHE 372 N 13.07 2.49 -3.71 1.61 3.01 -0.09 -4.80 117.46 129.04 3du4 n PHE 372 Ca 0.00 -1.25 -0.37 0.00 1.01 0.00 0.00 57.45 56.84 3du4 n PHE 372 Cb 0.00 -0.71 -0.10 0.00 -0.01 0.00 0.00 39.48 38.66 3du4 n PHE 372 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3du4 s MET 373 N -2.93 2.27 0.18 -1.08 1.75 -0.88 -4.16 119.30 114.45 3du4 s MET 373 Ca 0.54 -2.00 0.08 0.00 -1.25 0.00 0.00 55.69 53.06 3du4 s MET 373 Cb 0.43 -3.71 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 3du4 s MET 373 CO 0.13 -1.13 -0.17 0.00 -0.65 0.00 0.00 175.02 173.20 3du4 s GLY 375 N -2.87 -0.30 -0.35 0.00 0.00 0.44 -0.93 107.32 103.31 3du4 s GLY 375 Ca 0.18 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.20 3du4 s GLY 375 CO 0.07 1.26 0.07 0.00 0.00 0.00 0.00 173.10 174.51 3du4 s ALA 376 N 0.75 2.70 -0.09 3.20 0.00 -0.51 0.20 121.76 128.00 3du4 s ALA 376 Ca -0.04 -2.45 -0.30 0.00 0.00 0.00 0.00 51.96 49.17 3du4 s ALA 376 Cb -0.05 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3du4 s ALA 376 CO -0.05 -1.71 1.16 -2.00 0.00 0.00 0.00 175.76 173.16 3du4 s GLU 377 N 0.93 4.35 -0.06 0.00 2.12 -0.29 -1.58 118.70 124.17 3du4 s GLU 377 Ca 0.11 1.60 -0.15 0.00 0.36 0.00 0.00 54.97 56.90 3du4 s GLU 377 Cb -0.19 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 3du4 s GLU 377 CO -0.10 -0.46 0.38 -0.51 -0.54 0.00 0.00 175.26 174.03 3du4 s LEU 378 N 2.38 4.39 0.07 2.70 1.43 -0.21 -0.72 118.68 128.72 3du4 s LEU 378 Ca 0.54 0.82 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 3du4 s LEU 378 Cb -0.23 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3du4 s LEU 378 CO 0.19 0.22 -0.15 0.68 0.23 0.00 0.00 176.35 177.53 3du4 s VAL 379 N -0.45 1.22 -0.09 -1.59 -7.23 0.05 -4.62 120.40 107.70 3du4 s VAL 379 Ca 0.22 -1.25 0.30 0.00 -1.81 0.00 0.00 61.98 59.44 3du4 s VAL 379 Cb -0.15 -1.14 0.37 0.00 0.56 0.00 0.00 36.38 36.02 3du4 s VAL 379 CO 0.10 -0.12 1.86 0.08 -0.31 0.00 0.00 175.10 176.71 3du4 h ARG 380 N 4.46 0.00 -3.04 4.82 0.11 -1.20 -3.42 114.38 116.11 3du4 h ARG 380 Ca -0.41 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.40 3du4 h ARG 380 Cb 1.19 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.92 3du4 h ARG 380 CO 0.41 0.00 -0.60 0.45 0.10 0.00 0.00 179.97 180.33 3du4 s SER 381 N -5.83 0.54 0.00 0.08 0.15 -1.13 -4.96 113.70 102.54 3du4 s SER 381 Ca 0.03 0.40 0.27 0.00 0.70 0.00 0.00 55.95 57.36 3du4 s SER 381 Cb 0.08 0.38 0.88 0.00 -1.71 0.00 0.00 66.02 65.65 3du4 s SER 381 CO 0.58 -0.23 1.64 2.29 1.20 0.00 0.00 173.24 178.72 3du4 n LYS 382 N 5.19 1.31 -0.05 5.44 2.85 -1.26 -0.65 118.16 131.00 3du4 n LYS 382 Ca -0.08 -0.78 -0.13 0.00 -1.05 0.00 0.00 58.31 56.27 3du4 n LYS 382 Cb 0.50 -1.48 -0.14 0.00 -0.65 0.00 0.00 35.03 33.25 3du4 n LYS 382 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3du4 n GLU 383 N -0.16 0.68 0.01 -1.58 0.28 -1.26 -4.21 120.64 114.39 3du4 n GLU 383 Ca 0.16 0.20 0.11 0.00 -0.16 0.00 0.00 57.16 57.47 3du4 n GLU 383 Cb 0.36 -1.68 0.07 0.00 1.43 0.00 0.00 31.44 31.62 3du4 n GLU 383 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3du4 n THR 384 N -3.10 0.04 -1.84 3.84 -1.04 -1.24 -4.96 114.28 105.98 3du4 n THR 384 Ca -0.28 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.58 3du4 n THR 384 Cb 1.07 0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 70.05 3du4 n THR 384 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3du4 n LYS 385 N -1.61 -1.76 -2.05 -2.82 2.85 0.18 -4.97 118.16 107.98 3du4 n LYS 385 Ca 0.04 0.54 -0.40 0.00 -1.05 0.00 0.00 58.31 57.44 3du4 n LYS 385 Cb 0.36 -4.91 -0.01 0.00 -0.65 0.00 0.00 35.03 29.81 3du4 n LYS 385 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3du4 s GLU 386 N -3.87 4.23 0.44 -1.58 2.12 -1.14 -4.86 118.70 114.03 3du4 s GLU 386 Ca 0.00 2.27 -0.14 0.00 0.36 0.00 0.00 54.97 57.46 3du4 s GLU 386 Cb 0.00 -2.98 -0.08 0.00 0.26 0.00 0.00 34.13 31.33 3du4 s GLU 386 CO 0.00 -0.32 0.86 -1.25 -0.54 0.00 0.00 175.26 174.02 3du4 s PRO 387 N -1.95 3.90 0.39 4.30 0.04 -1.26 -0.80 135.00 139.62 3du4 s PRO 387 Ca 0.51 0.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 3du4 s PRO 387 Cb -0.41 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.75 3du4 s PRO 387 CO 0.54 -0.11 1.26 0.66 0.04 0.00 0.00 177.00 179.39 3du4 n TYR 388 N -1.26 2.11 -1.55 0.56 4.02 -1.26 -4.52 117.16 115.26 3du4 n TYR 388 Ca 0.04 0.53 -0.39 0.00 -0.01 0.00 0.00 57.90 58.07 3du4 n TYR 388 Cb 0.54 -2.38 0.04 0.00 -0.02 0.00 0.00 39.34 37.51 3du4 n TYR 388 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3du4 n PRO 389 N 0.25 0.84 -0.27 -0.72 -0.02 -1.26 -4.86 135.00 128.96 3du4 n PRO 389 Ca 0.06 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.82 3du4 n PRO 389 Cb 0.38 -1.94 0.11 0.00 -0.02 0.00 0.00 33.50 32.03 3du4 n PRO 389 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3du4 h ALA 390 N 0.66 1.13 0.00 3.55 0.00 -2.04 -3.10 119.26 119.46 3du4 h ALA 390 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3du4 h ALA 390 Cb 1.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3du4 h ALA 390 CO 0.51 0.64 0.01 -0.40 0.00 0.00 0.00 179.25 180.01 3du4 n ASP 391 N -4.29 0.00 -1.14 0.00 3.85 -1.26 -0.79 116.55 112.92 3du4 n ASP 391 Ca 0.07 0.45 0.09 0.00 -0.71 0.00 0.00 54.79 54.69 3du4 n ASP 391 Cb 0.17 -0.45 0.27 0.00 -1.35 0.00 0.00 41.12 39.76 3du4 n ASP 391 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3du4 n ARG 392 N -1.45 2.91 -3.85 0.11 1.85 -1.17 -5.01 116.66 110.06 3du4 n ARG 392 Ca 0.00 -2.50 -0.29 0.00 -1.00 0.00 0.00 57.85 54.06 3du4 n ARG 392 Cb 0.01 -1.52 0.04 0.00 -1.05 0.00 0.00 32.46 29.94 3du4 n ARG 392 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3du4 n ARG 393 N 1.15 -6.03 -0.09 2.89 5.12 0.03 -4.87 116.66 114.86 3du4 n ARG 393 Ca 0.20 0.64 -0.10 0.00 -1.93 0.00 0.00 57.85 56.67 3du4 n ARG 393 Cb 0.60 -5.57 -0.03 0.00 -1.16 0.00 0.00 32.46 26.31 3du4 n ARG 393 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3du4 h ILE 394 N -2.22 1.19 -0.23 0.55 1.08 -1.87 -0.22 117.51 115.79 3du4 h ILE 394 Ca -0.58 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 3du4 h ILE 394 Cb 1.38 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 3du4 h ILE 394 CO 0.65 0.20 0.08 1.23 -0.69 0.00 0.00 178.15 179.61 3du4 h GLY 395 N 0.32 0.28 0.90 5.37 0.00 -1.88 -0.89 103.07 107.17 3du4 h GLY 395 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.40 3du4 h GLY 395 CO -0.01 0.03 0.29 -1.82 0.00 0.00 0.00 176.54 175.03 3du4 h TYR 396 N 0.18 0.54 -0.60 5.60 3.20 -1.74 -2.24 116.97 121.91 3du4 h TYR 396 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3du4 h TYR 396 Cb 0.07 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3du4 h TYR 396 CO -0.13 0.31 0.24 0.87 -1.64 0.00 0.00 178.16 177.82 3du4 h LYS 397 N 0.58 0.89 -0.46 1.82 1.57 -0.92 -2.19 116.57 117.85 3du4 h LYS 397 Ca 0.19 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3du4 h LYS 397 Cb 0.01 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 3du4 h LYS 397 CO -0.08 0.76 0.18 0.28 -0.57 0.00 0.00 179.45 180.02 3du4 h VAL 398 N 0.83 0.88 -0.52 0.50 2.07 -0.99 -0.98 116.25 118.05 3du4 h VAL 398 Ca 0.20 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3du4 h VAL 398 Cb 0.20 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3du4 h VAL 398 CO -0.02 0.07 0.29 0.77 0.02 0.00 0.00 177.57 178.70 3du4 h SER 399 N 0.37 0.62 -0.20 0.57 4.64 -1.17 0.28 113.55 118.66 3du4 h SER 399 Ca 0.22 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.31 3du4 h SER 399 Cb 0.19 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3du4 h SER 399 CO -0.20 0.50 -0.58 -0.07 -0.87 0.00 0.00 176.83 175.61 3du4 h LEU 400 N 0.71 0.90 -0.44 5.97 4.07 -1.10 -1.68 115.31 123.73 3du4 h LEU 400 Ca 0.18 -0.49 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 3du4 h LEU 400 Cb 0.01 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 3du4 h LEU 400 CO -0.03 1.28 0.23 0.50 -1.08 0.00 0.00 178.44 179.33 3du4 h LYS 401 N 0.60 0.62 -0.82 1.13 1.63 -0.64 -2.06 116.57 117.04 3du4 h LYS 401 Ca 0.01 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 3du4 h LYS 401 Cb 1.17 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.64 3du4 h LYS 401 CO 0.12 0.51 0.54 0.52 -3.45 0.00 0.00 179.45 177.69 3du4 h MET 402 N 0.57 0.93 0.67 1.90 2.86 -0.98 -0.19 114.93 120.70 3du4 h MET 402 Ca 0.15 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3du4 h MET 402 Cb 0.08 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3du4 h MET 402 CO -0.02 0.62 -0.43 -0.09 1.06 0.00 0.00 176.91 178.04 3du4 h ARG 403 N 0.96 -1.00 -0.60 1.72 2.43 -0.87 0.40 114.38 117.42 3du4 h ARG 403 Ca 0.34 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.63 3du4 h ARG 403 Cb 0.13 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3du4 h ARG 403 CO -0.11 -0.67 0.40 1.05 -1.51 0.00 0.00 179.97 179.13 3du4 h GLU 404 N -1.04 0.62 0.00 0.20 4.11 -1.21 0.23 114.58 117.49 3du4 h GLU 404 Ca -0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.30 3du4 h GLU 404 Cb 0.84 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3du4 h GLU 404 CO 0.08 0.41 0.00 1.28 0.07 0.00 0.00 179.01 180.85 3du4 n LEU 405 N -4.47 0.00 0.00 3.06 4.32 -0.10 -4.90 117.00 114.91 3du4 n LEU 405 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 3du4 n LEU 405 Cb 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 3du4 n LEU 405 CO 0.34 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 3du4 n GLY 406 N 0.46 1.35 2.90 -0.72 0.00 0.79 -5.02 105.19 104.96 3du4 n GLY 406 Ca 0.17 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3du4 n GLY 406 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3du4 s MET 407 N -1.48 0.06 -0.17 1.61 0.00 0.12 -0.24 119.30 119.21 3du4 s MET 407 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 55.69 55.82 3du4 s MET 407 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 34.83 34.71 3du4 s MET 407 CO 0.00 -0.09 0.07 -0.51 0.00 0.00 0.00 175.02 174.49 3du4 s LEU 408 N 0.58 3.88 0.28 4.11 1.43 -0.05 -2.54 118.68 126.37 3du4 s LEU 408 Ca -0.05 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 3du4 s LEU 408 Cb -0.06 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3du4 s LEU 408 CO -0.02 0.22 0.63 0.28 0.23 0.00 0.00 176.35 177.69 3du4 s THR 409 N 0.08 0.00 -0.03 5.49 -1.32 -1.26 -1.49 115.64 117.12 3du4 s THR 409 Ca 0.06 -1.17 0.06 0.00 -1.21 0.00 0.00 61.69 59.43 3du4 s THR 409 Cb -0.12 -2.17 -0.01 0.00 -1.51 0.00 0.00 72.50 68.69 3du4 s THR 409 CO 0.01 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 172.08 3du4 s ARG 410 N -3.79 1.78 0.58 7.08 0.52 -1.26 -4.88 118.95 118.99 3du4 s ARG 410 Ca 0.16 -0.73 -0.10 0.00 -0.52 0.00 0.00 55.73 54.54 3du4 s ARG 410 Cb -0.04 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 3du4 s ARG 410 CO 0.09 0.40 0.97 -1.25 0.02 0.00 0.00 175.30 175.52 3du4 s PRO 411 N -0.35 3.60 -0.51 3.54 0.04 -1.26 -3.62 135.00 136.44 3du4 s PRO 411 Ca 0.04 0.63 0.02 0.00 0.04 0.00 0.00 61.00 61.73 3du4 s PRO 411 Cb -0.09 -2.15 0.13 0.00 0.04 0.00 0.00 34.50 32.43 3du4 s PRO 411 CO 0.00 -0.47 0.27 -0.51 0.04 0.00 0.00 177.00 176.33 3du4 s LEU 412 N -5.03 4.68 0.00 -3.56 2.01 0.23 -4.93 118.68 112.08 3du4 s LEU 412 Ca 0.53 -2.79 0.00 0.00 0.01 0.00 0.00 54.13 51.89 3du4 s LEU 412 Cb -0.11 -1.71 0.00 0.00 0.01 0.00 0.00 46.19 44.39 3du4 s LEU 412 CO 0.51 -0.31 0.00 0.61 1.01 0.00 0.00 176.35 178.17 3du4 n GLY 413 N 3.47 3.22 2.01 -3.19 0.00 -1.26 -2.00 105.19 107.44 3du4 n GLY 413 Ca 0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3du4 n GLY 413 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3du4 n ASP 414 N 7.89 3.87 -4.54 1.61 8.00 -1.26 -4.10 116.55 128.02 3du4 n ASP 414 Ca 0.00 -3.52 -0.36 0.00 0.71 0.00 0.00 54.79 51.62 3du4 n ASP 414 Cb 0.00 -0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 40.20 3du4 n ASP 414 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3du4 s VAL 415 N -3.21 4.57 -0.33 2.53 1.01 -0.85 -1.04 120.40 123.08 3du4 s VAL 415 Ca 0.55 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 3du4 s VAL 415 Cb 0.46 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3du4 s VAL 415 CO 0.10 0.39 0.80 -0.63 0.00 0.00 0.00 175.10 175.77 3du4 s ILE 416 N 1.02 4.75 0.21 2.22 -1.09 -0.61 0.74 121.20 128.44 3du4 s ILE 416 Ca 0.04 1.09 -0.27 0.00 -2.23 0.00 0.00 60.65 59.29 3du4 s ILE 416 Cb -0.14 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.47 3du4 s ILE 416 CO 0.03 -0.34 0.84 0.00 -1.23 0.00 0.00 174.94 174.25 3du4 s ALA 417 N 3.06 3.39 -0.32 9.38 0.00 -1.24 -1.42 121.76 134.61 3du4 s ALA 417 Ca 0.33 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 3du4 s ALA 417 Cb -0.14 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.04 3du4 s ALA 417 CO 0.14 0.26 0.13 0.12 0.00 0.00 0.00 175.76 176.41 3du4 s PHE 418 N -1.23 1.18 -0.55 0.00 5.36 -0.11 -4.67 117.98 117.95 3du4 s PHE 418 Ca 0.39 -1.49 0.05 0.00 -0.96 0.00 0.00 56.93 54.92 3du4 s PHE 418 Cb -0.23 -1.39 0.18 0.00 -0.34 0.00 0.00 43.02 41.24 3du4 s PHE 418 CO 0.28 -0.85 0.45 1.28 -1.46 0.00 0.00 175.22 174.92 3du4 n LEU 419 N 4.82 1.34 -4.80 6.12 4.32 -0.43 -1.55 117.00 126.82 3du4 n LEU 419 Ca -0.01 -4.83 -0.33 0.00 -0.02 0.00 0.00 56.01 50.82 3du4 n LEU 419 Cb 0.41 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3du4 n LEU 419 CO 0.10 1.85 0.73 -2.16 -1.22 0.00 0.00 177.39 176.69 3du4 s PRO 420 N -0.87 3.39 0.63 3.23 0.04 -1.18 -1.73 135.00 138.51 3du4 s PRO 420 Ca 0.30 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 3du4 s PRO 420 Cb 0.03 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 3du4 s PRO 420 CO -0.17 -0.76 0.49 -2.30 0.04 0.00 0.00 177.00 174.30 3du4 n PRO 421 N -1.74 0.42 0.24 0.56 -0.02 -1.26 -4.83 135.00 128.38 3du4 n PRO 421 Ca 0.09 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3du4 n PRO 421 Cb 0.52 -1.71 0.53 0.00 -0.02 0.00 0.00 33.50 32.82 3du4 n PRO 421 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3du4 h LEU 422 N 0.01 0.00 0.00 2.45 4.07 -1.40 -2.61 115.31 117.84 3du4 h LEU 422 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3du4 h LEU 422 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 3du4 h LEU 422 CO 0.45 0.16 0.00 0.00 -1.08 0.00 0.00 178.44 177.97 3du4 n ALA 423 N -2.19 2.33 -1.66 1.53 0.00 -0.73 -4.77 120.51 115.02 3du4 n ALA 423 Ca 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 53.44 52.82 3du4 n ALA 423 Cb 0.39 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3du4 n ALA 423 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3du4 n SER 424 N -1.33 2.70 -4.79 0.00 7.64 -0.99 -4.98 113.62 111.88 3du4 n SER 424 Ca 0.12 1.06 -0.29 0.00 1.01 0.00 0.00 58.87 60.77 3du4 n SER 424 Cb 0.23 -1.31 0.13 0.00 -1.01 0.00 0.00 64.21 62.26 3du4 n SER 424 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3du4 s THR 425 N 1.96 2.04 0.21 0.44 -4.23 -1.26 -4.86 115.64 109.93 3du4 s THR 425 Ca 0.87 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 61.29 3du4 s THR 425 Cb -0.81 -2.78 0.15 0.00 1.34 0.00 0.00 72.50 70.40 3du4 s THR 425 CO 0.48 -0.02 1.82 0.00 -0.54 0.00 0.00 174.62 176.36 3du4 h ALA 426 N -1.46 0.98 -0.41 3.99 0.00 -1.96 -2.26 119.26 118.13 3du4 h ALA 426 Ca -0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3du4 h ALA 426 Cb 1.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3du4 h ALA 426 CO 0.62 0.50 0.22 0.93 0.00 0.00 0.00 179.25 181.52 3du4 h GLU 427 N 1.06 0.58 -0.32 0.00 3.07 -2.00 -2.78 114.58 114.19 3du4 h GLU 427 Ca 0.27 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 3du4 h GLU 427 Cb 0.06 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3du4 h GLU 427 CO -0.04 0.48 -0.09 0.93 -1.40 0.00 0.00 179.01 178.89 3du4 h GLU 428 N 0.53 0.54 -0.58 2.33 5.08 -1.88 -0.64 114.58 119.97 3du4 h GLU 428 Ca 0.14 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3du4 h GLU 428 Cb 0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3du4 h GLU 428 CO -0.02 0.63 0.01 -0.07 -1.00 0.00 0.00 179.01 178.56 3du4 h LEU 429 N 0.50 0.97 -0.25 1.33 3.38 -1.32 0.07 115.31 120.00 3du4 h LEU 429 Ca 0.10 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.59 3du4 h LEU 429 Cb 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3du4 h LEU 429 CO 0.03 1.02 -0.85 0.77 0.09 0.00 0.00 178.44 179.50 3du4 h SER 430 N 0.92 0.60 -0.58 -0.43 4.64 -1.17 0.15 113.55 117.67 3du4 h SER 430 Ca 0.17 -0.43 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 3du4 h SER 430 Cb 0.52 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 3du4 h SER 430 CO 0.03 1.21 0.33 -0.33 -0.87 0.00 0.00 176.83 177.20 3du4 h GLU 431 N 0.30 0.63 -0.23 4.77 5.08 -1.01 -2.02 114.58 122.09 3du4 h GLU 431 Ca -0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3du4 h GLU 431 Cb 1.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3du4 h GLU 431 CO 0.15 0.41 -0.07 0.52 -1.00 0.00 0.00 179.01 179.02 3du4 h MET 432 N 0.65 0.46 -0.46 2.33 2.86 -0.79 -2.52 114.93 117.44 3du4 h MET 432 Ca 0.24 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3du4 h MET 432 Cb 0.08 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3du4 h MET 432 CO -0.13 0.70 0.17 0.28 1.06 0.00 0.00 176.91 179.00 3du4 h VAL 433 N 0.19 1.18 -0.34 -2.22 2.07 -0.92 -2.09 116.25 114.11 3du4 h VAL 433 Ca 0.06 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 3du4 h VAL 433 Cb 0.54 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3du4 h VAL 433 CO 0.03 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.80 3du4 h ALA 434 N 1.53 0.46 -0.82 1.67 0.00 -1.29 0.18 119.26 121.00 3du4 h ALA 434 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3du4 h ALA 434 Cb 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3du4 h ALA 434 CO -0.01 0.27 0.52 0.82 0.00 0.00 0.00 179.25 180.85 3du4 h ILE 435 N 0.42 1.22 -0.47 0.00 2.04 -1.35 -0.30 117.51 119.08 3du4 h ILE 435 Ca 0.09 -0.44 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 3du4 h ILE 435 Cb 0.52 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3du4 h ILE 435 CO 0.03 0.22 -0.18 -0.03 0.00 0.00 0.00 178.15 178.19 3du4 h MET 436 N 1.13 0.92 -0.29 2.37 4.05 -1.15 -2.29 114.93 119.66 3du4 h MET 436 Ca 0.30 -0.36 -0.14 0.00 -0.28 0.00 0.00 59.70 59.21 3du4 h MET 436 Cb -0.09 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 3du4 h MET 436 CO -0.06 1.02 -0.38 -0.22 0.23 0.00 0.00 176.91 177.50 3du4 h LYS 437 N 0.80 0.77 -0.67 0.39 3.64 -0.27 -2.21 116.57 119.02 3du4 h LYS 437 Ca 0.11 -0.44 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 3du4 h LYS 437 Cb 0.73 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 3du4 h LYS 437 CO 0.06 1.07 0.41 0.37 -2.27 0.00 0.00 179.45 179.08 3du4 h GLN 438 N 0.52 0.76 -0.12 1.90 4.15 -1.06 -2.29 115.11 118.97 3du4 h GLN 438 Ca 0.03 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 3du4 h GLN 438 Cb 0.97 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 3du4 h GLN 438 CO 0.09 0.50 -0.60 0.00 -1.93 0.00 0.00 178.83 176.89 3du4 h ALA 439 N 1.31 0.75 -0.54 3.38 0.00 -1.39 -1.13 119.26 121.64 3du4 h ALA 439 Ca 0.28 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3du4 h ALA 439 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3du4 h ALA 439 CO -0.13 0.71 0.03 0.82 0.00 0.00 0.00 179.25 180.68 3du4 h ILE 440 N 0.29 1.26 -0.28 0.00 2.04 -1.28 -2.53 117.51 117.01 3du4 h ILE 440 Ca -0.00 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 3du4 h ILE 440 Cb 1.13 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3du4 h ILE 440 CO 0.10 0.38 0.01 -0.74 0.00 0.00 0.00 178.15 177.91 3du4 h HIS 441 N 0.82 0.52 -0.09 1.37 2.76 -1.26 -1.08 115.15 118.20 3du4 h HIS 441 Ca 0.16 -0.09 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 3du4 h HIS 441 Cb 0.50 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3du4 h HIS 441 CO 0.04 0.62 -0.36 0.93 -1.30 0.00 0.00 177.93 177.85 3du4 h GLU 442 N 0.27 0.17 0.17 5.26 5.08 -1.20 -1.23 114.58 123.11 3du4 h GLU 442 Ca 0.08 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.12 3du4 h GLU 442 Cb 0.40 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.66 3du4 h GLU 442 CO 0.01 0.52 -1.13 0.28 -1.00 0.00 0.00 179.01 177.69 3du4 h VAL 443 N 0.15 1.34 0.09 3.13 2.07 -1.46 -3.40 116.25 118.17 3du4 h VAL 443 Ca 0.02 -2.55 -0.30 0.00 0.82 0.00 0.00 66.70 64.69 3du4 h VAL 443 Cb 0.72 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 3du4 h VAL 443 CO 0.05 0.75 -1.51 0.00 0.02 0.00 0.00 177.57 176.88 3du4 h THR 444 N -0.21 1.16 0.00 2.57 1.03 -1.08 -3.06 112.91 113.32 3du4 h THR 444 Ca -0.21 -2.84 -0.00 0.00 -0.01 0.00 0.00 66.41 63.35 3du4 h THR 444 Cb 1.82 2.72 -0.00 0.00 -1.07 0.00 0.00 68.15 71.62 3du4 h THR 444 CO 0.17 0.80 -0.00 0.77 -0.01 0.00 0.00 175.52 177.25 3du4 h SER 445 N 0.05 0.00 0.30 0.00 4.64 -1.41 -0.06 113.55 117.07 3du4 h SER 445 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3du4 h SER 445 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3du4 h SER 445 CO 0.15 0.00 -0.50 0.18 -0.87 0.00 0.00 176.83 175.79 3du4 n LEU 446 N -3.09 0.88 -4.21 5.97 4.77 -1.16 -4.84 117.00 115.31 3du4 n LEU 446 Ca -0.03 -0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.39 3du4 n LEU 446 Cb 0.08 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 3du4 n LEU 446 CO 0.20 0.19 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.37 3du4 s GLU 447 N -2.80 3.17 0.00 3.23 0.41 -0.03 -5.15 118.70 117.53 3du4 s GLU 447 Ca 0.15 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 3du4 s GLU 447 Cb 0.18 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 3du4 s GLU 447 CO 0.66 -0.17 0.49 -0.25 -0.49 0.00 0.00 175.26 175.50