#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du7 s ARG 3 N 0.00 3.69 -0.46 1.43 3.52 -1.26 -4.99 118.95 120.88 1du7 s ARG 3 Ca 0.00 1.75 0.09 0.00 -0.13 0.00 0.00 55.73 57.43 1du7 s ARG 3 Cb 0.00 -2.34 0.37 0.00 -1.56 0.00 0.00 34.95 31.43 1du7 s ARG 3 CO 0.00 -0.60 0.91 1.28 -0.81 0.00 0.00 175.30 176.08 1du7 n LEU 4 N -0.63 3.04 -5.01 -0.88 4.77 -1.26 -4.74 117.00 112.30 1du7 n LEU 4 Ca 0.08 -5.13 -0.23 0.00 -0.03 0.00 0.00 56.01 50.70 1du7 n LEU 4 Cb 0.49 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.65 1du7 n LEU 4 CO 0.47 2.21 0.51 0.54 -1.33 0.00 0.00 177.39 179.78 1du7 s ASN 5 N -3.13 4.48 0.11 -1.43 4.22 -1.26 -4.90 114.94 113.02 1du7 s ASN 5 Ca 0.43 -0.55 -0.25 0.00 -2.14 0.00 0.00 52.86 50.35 1du7 s ASN 5 Cb 0.35 0.17 -0.09 0.00 1.28 0.00 0.00 41.25 42.96 1du7 s ASN 5 CO -0.11 -1.78 1.68 -0.09 -2.04 0.00 0.00 177.10 174.76 1du7 h ARG 6 N -0.38 -0.27 -0.92 3.55 2.43 -2.00 -2.44 114.38 114.36 1du7 h ARG 6 Ca -0.34 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1du7 h ARG 6 Cb 1.27 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1du7 h ARG 6 CO 0.39 -0.18 0.59 1.49 -1.51 0.00 0.00 179.97 180.75 1du7 h GLU 7 N -0.28 0.95 -0.26 0.20 4.81 -1.99 -1.34 114.58 116.67 1du7 h GLU 7 Ca 0.03 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1du7 h GLU 7 Cb 0.31 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1du7 h GLU 7 CO -0.10 0.63 -0.50 0.77 -0.73 0.00 0.00 179.01 179.08 1du7 h SER 8 N 0.98 0.78 0.06 1.04 0.02 -1.85 -0.79 113.55 113.79 1du7 h SER 8 Ca 0.41 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1du7 h SER 8 Cb 0.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1du7 h SER 8 CO -0.17 1.14 -0.03 0.58 -1.14 0.00 0.00 176.83 177.22 1du7 h VAL 9 N 0.56 1.17 -0.22 2.27 2.07 -0.90 -1.93 116.25 119.26 1du7 h VAL 9 Ca 0.02 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1du7 h VAL 9 Cb 1.06 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 1du7 h VAL 9 CO 0.10 0.19 -0.06 0.40 0.02 0.00 0.00 177.57 178.23 1du7 h ILE 10 N -0.42 0.77 -0.29 4.57 1.08 -1.28 0.18 117.51 122.12 1du7 h ILE 10 Ca -0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1du7 h ILE 10 Cb 0.38 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 1du7 h ILE 10 CO 0.01 0.00 -0.13 0.44 -0.69 0.00 0.00 178.15 177.78 1du7 h ASP 11 N -0.01 -0.44 -0.14 1.72 5.19 -1.15 0.26 116.42 121.85 1du7 h ASP 11 Ca 0.11 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1du7 h ASP 11 Cb 0.17 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1du7 h ASP 11 CO -0.23 -0.16 -0.01 0.00 -3.12 0.00 0.00 179.24 175.72 1du7 h ALA 12 N 1.16 1.52 -0.14 3.45 0.00 -0.67 -1.23 119.26 123.35 1du7 h ALA 12 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1du7 h ALA 12 Cb 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1du7 h ALA 12 CO -0.35 0.35 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 1du7 h ALA 13 N 1.63 0.21 -0.02 0.00 0.00 0.78 -0.98 119.26 120.89 1du7 h ALA 13 Ca 0.08 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1du7 h ALA 13 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1du7 h ALA 13 CO 0.01 0.18 -0.04 -0.07 0.00 0.00 0.00 179.25 179.33 1du7 h LEU 14 N 0.01 -0.12 -0.68 0.00 3.38 -0.22 0.79 115.31 118.47 1du7 h LEU 14 Ca 0.01 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1du7 h LEU 14 Cb 0.81 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1du7 h LEU 14 CO 0.05 -0.06 0.27 -0.08 0.09 0.00 0.00 178.44 178.71 1du7 h GLU 15 N -0.06 0.43 -0.06 1.13 4.81 -1.24 0.39 114.58 119.97 1du7 h GLU 15 Ca 0.02 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1du7 h GLU 15 Cb 0.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1du7 h GLU 15 CO -0.05 0.29 -0.43 1.25 -0.73 0.00 0.00 179.01 179.33 1du7 h LEU 16 N 0.45 0.14 -0.55 1.64 5.85 -0.42 -3.05 115.31 119.36 1du7 h LEU 16 Ca 0.36 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1du7 h LEU 16 Cb 0.48 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1du7 h LEU 16 CO -0.35 0.55 0.21 0.25 -0.34 0.00 0.00 178.44 178.77 1du7 h LEU 17 N 0.11 0.77 -0.93 2.25 5.85 0.27 -1.97 115.31 121.67 1du7 h LEU 17 Ca 0.01 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1du7 h LEU 17 Cb 0.81 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1du7 h LEU 17 CO 0.06 0.74 0.60 0.78 -0.34 0.00 0.00 178.44 180.28 1du7 h ASN 18 N 0.76 0.95 -0.14 1.25 2.35 -1.27 -1.16 115.58 118.32 1du7 h ASN 18 Ca 0.18 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 1du7 h ASN 18 Cb 0.22 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1du7 h ASN 18 CO -0.01 0.62 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.65 1du7 h GLU 19 N 1.09 0.67 0.00 0.81 5.08 -1.40 -3.38 114.58 117.47 1du7 h GLU 19 Ca 0.40 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1du7 h GLU 19 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1du7 h GLU 19 CO -0.17 0.96 0.00 0.25 -1.00 0.00 0.00 179.01 179.05 1du7 n THR 20 N -4.03 0.58 -0.92 1.13 -2.24 -0.79 -5.07 114.28 102.93 1du7 n THR 20 Ca -0.02 -0.73 0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1du7 n THR 20 Cb 0.53 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1du7 n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1du7 n GLY 21 N -0.29 -2.48 0.32 3.38 0.00 -0.45 -0.65 105.19 105.03 1du7 n GLY 21 Ca 0.00 -1.24 0.19 0.00 0.00 0.00 0.00 46.02 44.97 1du7 n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1du7 h ILE 22 N -0.88 0.27 0.13 -0.61 2.10 -1.83 -1.82 117.51 114.85 1du7 h ILE 22 Ca -0.06 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.58 1du7 h ILE 22 Cb 0.87 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 37.53 1du7 h ILE 22 CO 0.03 0.00 -1.47 0.44 -1.08 0.00 0.00 178.15 176.07 1du7 h ASP 23 N 0.00 0.41 1.05 2.19 3.32 -1.97 -3.29 116.42 118.12 1du7 h ASP 23 Ca 0.02 -0.54 -0.08 0.00 0.02 0.00 0.00 57.03 56.45 1du7 h ASP 23 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1du7 h ASP 23 CO -0.00 1.44 -0.39 1.23 -1.72 0.00 0.00 179.24 179.80 1du7 h GLY 24 N 1.60 0.00 -7.51 2.75 0.00 -0.08 -3.43 103.07 96.40 1du7 h GLY 24 Ca -0.22 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.63 1du7 h GLY 24 CO 0.17 0.00 1.59 -2.27 0.00 0.00 0.00 176.54 176.04 1du7 s LEU 25 N -6.83 3.40 0.11 3.11 2.96 -0.84 -4.92 118.68 115.67 1du7 s LEU 25 Ca 0.01 1.12 0.06 0.00 -0.22 0.00 0.00 54.13 55.11 1du7 s LEU 25 Cb 0.10 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1du7 s LEU 25 CO 0.69 -2.73 -0.15 0.42 -1.32 0.00 0.00 176.35 173.26 1du7 s THR 26 N 11.49 1.37 0.18 3.68 -4.23 -1.26 -5.03 115.64 121.83 1du7 s THR 26 Ca 0.95 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1du7 s THR 26 Cb -0.19 -1.44 0.07 0.00 1.34 0.00 0.00 72.50 72.29 1du7 s THR 26 CO 0.27 -0.30 1.77 0.74 -0.54 0.00 0.00 174.62 176.55 1du7 h THR 27 N 3.79 0.91 -0.59 3.99 2.02 -1.98 0.08 112.91 121.13 1du7 h THR 27 Ca -0.41 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 66.72 1du7 h THR 27 Cb 1.19 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.99 1du7 h THR 27 CO 0.46 0.07 0.18 -0.09 0.37 0.00 0.00 175.52 176.51 1du7 h ARG 28 N 0.41 0.33 0.00 6.66 2.43 -1.98 0.16 114.38 122.39 1du7 h ARG 28 Ca 0.21 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1du7 h ARG 28 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1du7 h ARG 28 CO -0.18 0.22 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.10 1du7 h LYS 29 N 0.34 0.00 -0.02 0.20 3.64 -1.77 -1.56 116.57 117.40 1du7 h LYS 29 Ca 0.30 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 1du7 h LYS 29 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1du7 h LYS 29 CO -0.33 0.17 -0.23 1.25 -2.27 0.00 0.00 179.45 178.04 1du7 h LEU 30 N 0.00 0.23 0.51 5.20 5.85 0.70 -1.83 115.31 125.97 1du7 h LEU 30 Ca -0.00 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 1du7 h LEU 30 Cb 0.88 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1du7 h LEU 30 CO 0.02 0.92 -0.45 0.00 -0.34 0.00 0.00 178.44 178.59 1du7 h ALA 31 N 0.31 -1.14 -1.04 1.25 0.00 -0.69 -1.34 119.26 116.61 1du7 h ALA 31 Ca -0.02 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.01 1du7 h ALA 31 Cb 0.94 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 19.26 1du7 h ALA 31 CO 0.05 -1.15 0.62 0.37 0.00 0.00 0.00 179.25 179.13 1du7 h GLN 32 N -0.94 0.37 -0.18 0.00 4.15 -1.37 0.10 115.11 117.24 1du7 h GLN 32 Ca -0.07 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1du7 h GLN 32 Cb 0.80 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1du7 h GLN 32 CO -0.03 0.24 0.07 -0.22 -1.93 0.00 0.00 178.83 176.96 1du7 h LYS 33 N 0.38 0.28 -0.29 1.69 1.63 -0.47 -2.50 116.57 117.28 1du7 h LYS 33 Ca 0.70 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.45 1du7 h LYS 33 Cb 1.62 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1du7 h LYS 33 CO -0.51 0.36 0.00 1.28 -3.45 0.00 0.00 179.45 177.13 1du7 n LEU 34 N -4.83 0.29 -3.07 5.20 4.77 -0.02 -4.88 117.00 114.45 1du7 n LEU 34 Ca -0.04 -0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 1du7 n LEU 34 Cb 0.13 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1du7 n LEU 34 CO 0.35 0.07 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 1du7 n GLY 35 N 0.31 -0.51 3.50 -0.72 0.00 -0.91 -4.04 105.19 102.82 1du7 n GLY 35 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1du7 n GLY 35 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1du7 n ILE 36 N -4.32 0.00 -3.67 -0.61 -5.35 -1.06 -4.99 119.36 99.35 1du7 n ILE 36 Ca -0.09 -2.49 -0.30 0.00 -0.27 0.00 0.00 62.75 59.60 1du7 n ILE 36 Cb 0.60 0.90 -0.04 0.00 -1.74 0.00 0.00 39.64 39.36 1du7 n ILE 36 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1du7 s GLU 37 N -3.62 3.57 0.39 6.28 0.41 -1.26 -4.01 118.70 120.46 1du7 s GLU 37 Ca 0.22 -0.19 0.06 0.00 -0.41 0.00 0.00 54.97 54.65 1du7 s GLU 37 Cb 0.01 -2.84 0.79 0.00 -1.78 0.00 0.00 34.13 30.30 1du7 s GLU 37 CO 0.15 0.44 2.01 1.96 -0.49 0.00 0.00 175.26 179.34 1du7 h GLN 38 N 2.49 0.55 0.00 1.61 4.20 -1.94 -0.40 115.11 121.61 1du7 h GLN 38 Ca -0.47 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.11 1du7 h GLN 38 Cb 1.17 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1du7 h GLN 38 CO 0.71 0.41 -0.37 -1.35 -0.67 0.00 0.00 178.83 177.56 1du7 h PRO 39 N 0.56 0.00 -0.16 1.46 0.11 -1.99 0.41 132.00 132.38 1du7 h PRO 39 Ca 0.14 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1du7 h PRO 39 Cb 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1du7 h PRO 39 CO -0.02 0.37 -0.06 1.15 -0.21 0.00 0.00 178.00 179.22 1du7 h THR 40 N 0.00 1.30 -0.33 -1.15 2.02 -1.52 -2.85 112.91 110.38 1du7 h THR 40 Ca -0.00 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1du7 h THR 40 Cb 0.77 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1du7 h THR 40 CO 0.05 0.32 0.07 0.25 0.37 0.00 0.00 175.52 176.58 1du7 h LEU 41 N 0.02 0.44 -1.29 2.58 5.85 -1.02 -2.76 115.31 119.13 1du7 h LEU 41 Ca 0.04 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1du7 h LEU 41 Cb 0.52 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1du7 h LEU 41 CO 0.02 0.45 0.46 0.22 -0.34 0.00 0.00 178.44 179.25 1du7 h TYR 42 N 0.47 0.90 -0.06 1.25 5.03 -0.69 0.27 116.97 124.14 1du7 h TYR 42 Ca 0.11 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1du7 h TYR 42 Cb 0.19 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.17 1du7 h TYR 42 CO 0.01 0.57 0.02 2.35 -1.32 0.00 0.00 178.16 179.79 1du7 h TRP 43 N 0.97 0.08 0.00 -3.82 7.01 -1.31 -3.29 115.95 115.58 1du7 h TRP 43 Ca 0.26 0.00 -0.37 0.00 2.11 0.00 0.00 58.89 60.89 1du7 h TRP 43 Cb -0.10 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 26.88 1du7 h TRP 43 CO 0.00 0.06 -2.01 0.72 -2.79 0.00 0.00 178.44 174.43 1du7 n HIS 44 N -4.51 0.43 -3.92 2.65 8.25 -0.50 -4.88 115.22 112.73 1du7 n HIS 44 Ca -0.02 0.19 -0.35 0.00 -0.26 0.00 0.00 57.72 57.28 1du7 n HIS 44 Cb 0.10 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.03 1du7 n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1du7 s VAL 45 N -2.45 2.96 0.13 1.59 1.01 0.83 -5.01 120.40 119.46 1du7 s VAL 45 Ca -0.35 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 60.17 1du7 s VAL 45 Cb 0.11 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1du7 s VAL 45 CO 0.53 -0.05 1.65 0.11 0.00 0.00 0.00 175.10 177.35 1du7 h LYS 46 N 8.00 0.64 -2.97 2.72 1.79 -1.83 -3.36 116.57 121.55 1du7 h LYS 46 Ca -0.23 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 1du7 h LYS 46 Cb 1.07 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1du7 h LYS 46 CO 0.54 0.63 0.29 0.54 -1.08 0.00 0.00 179.45 180.37 1du7 s ASN 47 N -5.95 -0.00 0.36 0.86 2.20 -1.26 -4.98 114.94 106.16 1du7 s ASN 47 Ca -0.13 -1.10 0.06 0.00 -0.94 0.00 0.00 52.86 50.74 1du7 s ASN 47 Cb 0.10 0.83 0.68 0.00 -2.00 0.00 0.00 41.25 40.86 1du7 s ASN 47 CO 0.76 -1.65 1.92 0.50 -2.94 0.00 0.00 177.10 175.70 1du7 h LYS 48 N 2.00 0.49 0.04 3.55 3.64 -1.98 -2.20 116.57 122.11 1du7 h LYS 48 Ca -0.32 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1du7 h LYS 48 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1du7 h LYS 48 CO 0.40 0.49 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.96 1du7 h ARG 49 N 0.47 -0.05 -0.47 1.90 9.65 -1.98 0.13 114.38 124.04 1du7 h ARG 49 Ca 0.11 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 1du7 h ARG 49 Cb 0.26 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 1du7 h ARG 49 CO 0.00 0.14 0.07 0.00 2.80 0.00 0.00 179.97 182.98 1du7 h ALA 50 N 0.72 0.50 -0.35 2.80 0.00 -1.93 0.38 119.26 121.38 1du7 h ALA 50 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1du7 h ALA 50 Cb 0.21 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1du7 h ALA 50 CO 0.01 -0.33 0.05 1.25 0.00 0.00 0.00 179.25 180.23 1du7 h LEU 51 N 0.20 -0.02 -0.32 0.00 5.85 -1.19 -0.95 115.31 118.87 1du7 h LEU 51 Ca 0.23 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1du7 h LEU 51 Cb 0.31 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1du7 h LEU 51 CO -0.32 0.02 0.19 -0.07 -0.34 0.00 0.00 178.44 177.92 1du7 h LEU 52 N 0.17 0.38 -1.14 2.25 3.38 0.96 -0.65 115.31 120.67 1du7 h LEU 52 Ca 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1du7 h LEU 52 Cb 0.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1du7 h LEU 52 CO -0.23 0.32 0.18 0.44 0.09 0.00 0.00 178.44 179.24 1du7 h ASP 53 N 0.41 0.72 -0.12 -0.43 3.32 0.07 -1.10 116.42 119.30 1du7 h ASP 53 Ca 0.11 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1du7 h ASP 53 Cb 0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1du7 h ASP 53 CO -0.02 0.68 -0.40 0.00 -1.72 0.00 0.00 179.24 177.77 1du7 h ALA 54 N 1.43 0.79 -0.44 3.45 0.00 -0.82 -2.87 119.26 120.80 1du7 h ALA 54 Ca 0.18 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1du7 h ALA 54 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1du7 h ALA 54 CO -0.01 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.63 1du7 h LEU 55 N 0.53 0.93 -0.82 0.00 3.38 -0.65 -1.98 115.31 116.70 1du7 h LEU 55 Ca 0.04 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1du7 h LEU 55 Cb 0.93 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1du7 h LEU 55 CO 0.08 1.12 0.47 0.00 0.09 0.00 0.00 178.44 180.20 1du7 h ALA 56 N 0.84 1.16 -0.16 1.53 0.00 -1.06 -0.11 119.26 121.46 1du7 h ALA 56 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1du7 h ALA 56 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1du7 h ALA 56 CO 0.06 0.11 -0.41 0.28 0.00 0.00 0.00 179.25 179.29 1du7 h VAL 57 N 0.79 1.35 -0.51 0.00 2.07 -1.40 -3.25 116.25 115.30 1du7 h VAL 57 Ca 0.39 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1du7 h VAL 57 Cb 0.34 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1du7 h VAL 57 CO -0.24 0.51 0.33 -0.33 0.02 0.00 0.00 177.57 177.86 1du7 h GLU 58 N 0.20 0.68 -0.91 1.57 4.39 -0.76 0.22 114.58 119.97 1du7 h GLU 58 Ca -0.01 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.78 1du7 h GLU 58 Cb 1.02 -0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.43 1du7 h GLU 58 CO 0.09 0.46 0.53 0.82 -1.16 0.00 0.00 179.01 179.75 1du7 h ILE 59 N 0.69 0.83 0.17 3.13 2.04 -1.12 0.62 117.51 123.86 1du7 h ILE 59 Ca 0.19 -0.27 -0.25 0.00 1.00 0.00 0.00 64.86 65.52 1du7 h ILE 59 Cb -0.06 -0.04 0.03 0.00 -0.74 0.00 0.00 36.82 36.01 1du7 h ILE 59 CO -0.04 0.15 -1.07 -0.07 0.00 0.00 0.00 178.15 177.11 1du7 h LEU 60 N 0.79 0.66 -2.26 1.44 3.38 -1.46 -2.29 115.31 115.57 1du7 h LEU 60 Ca 0.47 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1du7 h LEU 60 Cb 0.57 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1du7 h LEU 60 CO -0.31 1.52 0.02 0.00 0.09 0.00 0.00 178.44 179.76 1du7 h ALA 61 N 0.15 1.75 0.06 1.53 0.00 -0.16 0.17 119.26 122.76 1du7 h ALA 61 Ca -0.18 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.39 1du7 h ALA 61 Cb 1.83 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1du7 h ALA 61 CO 0.20 -0.03 -1.92 0.54 0.00 0.00 0.00 179.25 178.05 1du7 n ARG 62 N -4.13 0.70 0.00 0.00 1.74 0.17 -4.66 116.66 110.48 1du7 n ARG 62 Ca -0.02 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1du7 n ARG 62 Cb 0.11 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1du7 n ARG 62 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1du7 n HIS 63 N -3.25 0.00 -2.93 -1.55 8.25 -0.86 -4.86 115.22 110.00 1du7 n HIS 63 Ca -0.26 -0.01 -0.44 0.00 -0.26 0.00 0.00 57.72 56.75 1du7 n HIS 63 Cb 1.05 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.15 1du7 n HIS 63 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1du7 s HIS 64 N -0.02 3.34 0.16 4.41 2.46 0.03 -4.50 115.29 121.18 1du7 s HIS 64 Ca 0.00 -1.83 -0.12 0.00 0.47 0.00 0.00 55.06 53.57 1du7 s HIS 64 Cb 0.00 -4.31 0.04 0.00 -0.13 0.00 0.00 32.58 28.18 1du7 s HIS 64 CO 0.00 -1.44 1.65 -0.44 -2.47 0.00 0.00 174.74 172.04 1du7 h ASP 65 N 7.83 0.84 -2.95 9.88 5.19 -1.85 -3.36 116.42 131.99 1du7 h ASP 65 Ca 0.26 -0.25 -0.81 0.00 -0.62 0.00 0.00 57.03 55.61 1du7 h ASP 65 Cb 0.93 -0.22 -0.28 0.00 0.18 0.00 0.00 39.33 39.94 1du7 h ASP 65 CO 1.19 0.87 0.74 0.00 -3.12 0.00 0.00 179.24 178.93 1du7 n TYR 66 N -4.39 2.48 0.02 4.55 4.19 -1.26 -4.68 117.16 118.07 1du7 n TYR 66 Ca 0.02 -2.69 -0.12 0.00 3.31 0.00 0.00 57.90 58.41 1du7 n TYR 66 Cb 0.25 -1.28 -0.14 0.00 0.49 0.00 0.00 39.34 38.67 1du7 n TYR 66 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1du7 h SER 67 N 5.50 0.16 -2.85 2.98 0.02 -1.93 -3.39 113.55 114.04 1du7 h SER 67 Ca 0.20 -0.27 -0.63 0.00 -0.84 0.00 0.00 61.79 60.25 1du7 h SER 67 Cb 0.63 -0.05 -0.17 0.00 0.14 0.00 0.00 62.40 62.95 1du7 h SER 67 CO 1.31 1.23 -0.80 -0.76 -1.14 0.00 0.00 176.83 176.67 1du7 s LEU 68 N -6.55 2.49 0.52 5.07 1.43 -1.26 -4.88 118.68 115.50 1du7 s LEU 68 Ca -0.07 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 51.92 1du7 s LEU 68 Cb 0.08 -1.13 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 1du7 s LEU 68 CO 0.83 0.09 1.01 -2.84 0.23 0.00 0.00 176.35 175.66 1du7 s PRO 69 N -2.98 3.78 0.80 1.29 0.02 -1.26 -5.04 135.00 131.60 1du7 s PRO 69 Ca 0.24 1.15 -0.11 0.00 0.02 0.00 0.00 61.00 62.30 1du7 s PRO 69 Cb -0.07 -2.10 0.08 0.00 0.02 0.00 0.00 34.50 32.43 1du7 s PRO 69 CO 0.12 -0.43 1.15 0.00 -0.33 0.00 0.00 177.00 177.51 1du7 s ALA 70 N -2.35 2.74 -0.03 -1.55 0.00 -1.26 -4.99 121.76 114.32 1du7 s ALA 70 Ca 0.63 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1du7 s ALA 70 Cb -0.13 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1du7 s ALA 70 CO 0.27 -1.64 1.34 0.00 0.00 0.00 0.00 175.76 175.73 1du7 s ALA 71 N -3.52 3.56 0.00 0.00 0.00 -1.26 -3.10 121.76 117.44 1du7 s ALA 71 Ca 0.62 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1du7 s ALA 71 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1du7 s ALA 71 CO 0.48 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1du7 n GLY 72 N 3.58 2.50 3.44 0.00 0.00 -1.26 -4.99 105.19 108.46 1du7 n GLY 72 Ca 0.13 -0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 1du7 n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1du7 n GLU 73 N 0.00 0.29 -1.70 1.61 2.13 -1.18 -4.94 120.64 116.85 1du7 n GLU 73 Ca 0.00 0.10 -0.29 0.00 0.66 0.00 0.00 57.16 57.63 1du7 n GLU 73 Cb 0.00 -1.19 0.14 0.00 0.27 0.00 0.00 31.44 30.66 1du7 n GLU 73 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1du7 s SER 74 N -0.88 3.49 0.13 4.31 1.04 -1.26 -4.88 113.70 115.66 1du7 s SER 74 Ca 0.64 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 1du7 s SER 74 Cb -0.89 -1.12 -0.10 0.00 0.10 0.00 0.00 66.02 64.01 1du7 s SER 74 CO 0.57 -2.54 1.30 4.11 0.98 0.00 0.00 173.24 177.66 1du7 h TRP 75 N -1.49 0.45 -0.18 5.02 5.08 -1.94 -2.38 115.95 120.50 1du7 h TRP 75 Ca -0.47 -0.27 -0.01 0.00 1.08 0.00 0.00 58.89 59.22 1du7 h TRP 75 Cb 1.31 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.41 1du7 h TRP 75 CO -0.25 1.11 0.07 1.96 -1.28 0.00 0.00 178.44 180.05 1du7 h GLN 76 N 0.15 0.28 -0.17 0.12 7.50 -1.99 -1.51 115.11 119.48 1du7 h GLN 76 Ca -0.08 -0.05 0.04 0.00 0.50 0.00 0.00 58.65 59.06 1du7 h GLN 76 Cb 1.64 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 29.09 1du7 h GLN 76 CO 0.16 0.36 -0.05 1.03 -1.50 0.00 0.00 178.83 178.83 1du7 h SER 77 N 0.14 -0.18 -0.17 1.46 0.87 -1.95 -2.52 113.55 111.20 1du7 h SER 77 Ca 0.06 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1du7 h SER 77 Cb 0.19 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1du7 h SER 77 CO -0.00 -0.07 -0.09 0.15 -0.53 0.00 0.00 176.83 176.29 1du7 h PHE 78 N -0.01 -0.21 -0.45 2.24 3.57 -1.20 -1.22 116.94 119.65 1du7 h PHE 78 Ca 0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1du7 h PHE 78 Cb 0.14 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1du7 h PHE 78 CO -0.21 -0.14 0.30 -0.07 -2.23 0.00 0.00 178.31 175.97 1du7 h LEU 79 N -0.08 0.36 0.32 0.59 3.38 -1.05 0.15 115.31 118.99 1du7 h LEU 79 Ca 0.09 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1du7 h LEU 79 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1du7 h LEU 79 CO -0.22 0.24 -0.15 -0.09 0.09 0.00 0.00 178.44 178.31 1du7 h ARG 80 N 0.42 -0.41 -0.29 1.13 2.43 -1.01 -2.45 114.38 114.19 1du7 h ARG 80 Ca 0.19 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1du7 h ARG 80 Cb 0.25 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1du7 h ARG 80 CO -0.05 -0.20 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.28 1du7 h ASN 81 N -1.07 -0.17 -0.22 -3.80 2.35 -1.11 -1.97 115.58 109.58 1du7 h ASN 81 Ca -0.04 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1du7 h ASN 81 Cb 0.40 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1du7 h ASN 81 CO 0.07 -0.05 0.15 -1.13 -1.65 0.00 0.00 177.43 174.82 1du7 h ASN 82 N 0.05 0.25 0.85 5.81 -0.73 -0.81 -1.17 115.58 119.83 1du7 h ASN 82 Ca 0.14 -0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.16 1du7 h ASN 82 Cb 0.20 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1du7 h ASN 82 CO -0.26 0.18 -0.67 0.00 -0.37 0.00 0.00 177.43 176.31 1du7 h ALA 83 N 1.86 0.78 -0.22 1.57 0.00 -0.87 -2.23 119.26 120.14 1du7 h ALA 83 Ca 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1du7 h ALA 83 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1du7 h ALA 83 CO -0.02 0.83 -0.12 0.52 0.00 0.00 0.00 179.25 180.47 1du7 h MET 84 N 0.00 0.48 -0.87 0.00 2.86 -0.64 -0.13 114.93 116.62 1du7 h MET 84 Ca -0.01 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1du7 h MET 84 Cb 1.27 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 1du7 h MET 84 CO 0.09 0.76 0.56 1.03 1.06 0.00 0.00 176.91 180.40 1du7 h SER 85 N 0.18 0.93 0.34 1.22 0.87 -1.31 0.15 113.55 115.93 1du7 h SER 85 Ca 0.05 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 1du7 h SER 85 Cb 0.62 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1du7 h SER 85 CO 0.03 0.63 -0.37 0.15 -0.53 0.00 0.00 176.83 176.75 1du7 h PHE 86 N 1.08 0.04 0.08 2.24 3.57 -1.10 -2.18 116.94 120.67 1du7 h PHE 86 Ca 0.35 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1du7 h PHE 86 Cb 0.03 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1du7 h PHE 86 CO -0.02 0.40 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.33 1du7 h ARG 87 N 0.03 -0.11 -0.00 1.11 2.43 0.28 -2.99 114.38 115.13 1du7 h ARG 87 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1du7 h ARG 87 Cb 0.66 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1du7 h ARG 87 CO 0.05 0.44 -0.21 0.00 -1.51 0.00 0.00 179.97 178.73 1du7 h ARG 88 N -0.86 -0.26 -0.91 0.20 3.08 -1.01 -2.40 114.38 112.24 1du7 h ARG 88 Ca -0.01 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.25 1du7 h ARG 88 Cb 0.59 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 30.53 1du7 h ARG 88 CO 0.02 -0.17 -0.15 0.00 -1.07 0.00 0.00 179.97 178.60 1du7 h ALA 89 N -1.07 0.73 0.00 0.04 0.00 -1.54 1.00 119.26 118.41 1du7 h ALA 89 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1du7 h ALA 89 Cb 0.29 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1du7 h ALA 89 CO -0.14 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 178.61 1du7 h LEU 90 N 0.01 0.00 0.00 0.00 3.38 -1.29 -2.70 115.31 114.72 1du7 h LEU 90 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1du7 h LEU 90 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1du7 h LEU 90 CO -0.90 0.00 -1.60 0.18 0.09 0.00 0.00 178.44 176.21 1du7 n LEU 91 N -2.36 0.33 0.00 1.67 4.77 0.34 -3.54 117.00 118.21 1du7 n LEU 91 Ca 0.00 0.09 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1du7 n LEU 91 Cb 0.13 -0.03 0.19 0.00 -2.33 0.00 0.00 43.42 41.39 1du7 n LEU 91 CO 0.16 -0.05 0.55 -1.14 -1.33 0.00 0.00 177.39 175.58 1du7 n ARG 92 N -2.35 0.10 -3.79 3.23 0.00 -0.86 -4.67 116.66 108.33 1du7 n ARG 92 Ca -0.02 0.22 -0.13 0.00 -0.00 0.00 0.00 57.85 57.92 1du7 n ARG 92 Cb 0.55 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.39 1du7 n ARG 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1du7 s TYR 93 N -2.59 -0.25 0.23 -0.14 2.02 -1.26 -5.09 117.35 110.27 1du7 s TYR 93 Ca 0.07 0.61 -0.31 0.00 -0.37 0.00 0.00 57.07 57.06 1du7 s TYR 93 Cb 0.05 0.07 -0.14 0.00 -0.40 0.00 0.00 41.96 41.55 1du7 s TYR 93 CO 0.12 -0.13 1.30 -2.13 -1.57 0.00 0.00 175.55 173.14 1du7 n ARG 94 N 3.12 1.76 -1.00 -0.62 0.63 -1.26 -0.57 116.66 118.72 1du7 n ARG 94 Ca -0.14 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1du7 n ARG 94 Cb 0.58 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 31.28 1du7 n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1du7 n ASP 95 N 1.93 -5.65 -0.11 6.15 9.92 -1.26 -4.68 116.55 122.85 1du7 n ASP 95 Ca 0.12 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.35 1du7 n ASP 95 Cb 0.30 -3.16 -0.03 0.00 -0.64 0.00 0.00 41.12 37.60 1du7 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1du7 n GLY 96 N 0.54 -2.42 0.33 0.44 0.00 0.26 -0.82 105.19 103.52 1du7 n GLY 96 Ca 0.00 0.64 0.15 0.00 0.00 0.00 0.00 46.02 46.81 1du7 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du7 h ALA 97 N -0.41 1.22 -0.00 4.61 0.00 -1.84 1.58 119.26 124.42 1du7 h ALA 97 Ca 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1du7 h ALA 97 Cb 0.11 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1du7 h ALA 97 CO -0.26 -0.56 -0.34 0.87 0.00 0.00 0.00 179.25 178.96 1du7 h LYS 98 N 0.06 0.01 -0.00 0.00 1.57 -1.36 -1.55 116.57 115.29 1du7 h LYS 98 Ca 0.59 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1du7 h LYS 98 Cb 1.23 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1du7 h LYS 98 CO -0.83 0.34 -0.00 0.28 -0.57 0.00 0.00 179.45 178.67 1du7 h VAL 99 N 0.01 1.34 0.00 0.50 2.07 0.36 -3.20 116.25 117.32 1du7 h VAL 99 Ca -0.00 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1du7 h VAL 99 Cb 0.60 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1du7 h VAL 99 CO 0.04 0.26 -0.18 -0.74 0.02 0.00 0.00 177.57 176.97 1du7 h HIS 100 N -0.42 0.00 -0.36 1.57 -0.00 -1.02 -3.28 115.15 111.64 1du7 h HIS 100 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1du7 h HIS 100 Cb 0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.76 1du7 h HIS 100 CO 0.07 0.18 -0.14 1.25 -0.00 0.00 0.00 177.93 179.29 1du7 h LEU 101 N 0.00 -0.49 -4.18 0.26 5.85 -1.27 -2.98 115.31 112.50 1du7 h LEU 101 Ca -0.00 0.13 -0.35 0.00 0.84 0.00 0.00 57.88 58.49 1du7 h LEU 101 Cb 0.34 0.29 -0.13 0.00 0.37 0.00 0.00 40.66 41.53 1du7 h LEU 101 CO 0.02 -0.18 0.10 0.61 -0.34 0.00 0.00 178.44 178.66 1du7 n GLY 102 N -1.33 3.77 3.56 3.75 0.00 -1.24 -4.90 105.19 108.80 1du7 n GLY 102 Ca 0.02 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 1du7 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1du7 s THR 103 N -1.01 0.01 0.03 2.61 -4.23 -1.13 -4.94 115.64 106.98 1du7 s THR 103 Ca 0.57 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1du7 s THR 103 Cb 0.33 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 1du7 s THR 103 CO -0.12 -0.03 0.01 -0.60 -0.54 0.00 0.00 174.62 173.34 1du7 s ARG 104 N -4.01 0.42 -0.28 3.99 6.06 -1.26 -5.09 118.95 118.77 1du7 s ARG 104 Ca 0.22 -0.71 -0.44 0.00 -2.50 0.00 0.00 55.73 52.30 1du7 s ARG 104 Cb -0.00 0.15 -0.20 0.00 0.06 0.00 0.00 34.95 34.96 1du7 s ARG 104 CO 0.08 -0.08 1.36 -0.35 -2.50 0.00 0.00 175.30 173.81 1du7 n PRO 105 N 1.22 0.00 -3.02 5.12 -0.04 -1.26 -4.93 135.00 132.09 1du7 n PRO 105 Ca -0.22 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.93 1du7 n PRO 105 Cb 0.57 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1du7 n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1du7 s ASP 106 N 1.69 6.64 0.26 3.54 2.15 -1.26 -4.92 116.67 124.77 1du7 s ASP 106 Ca 0.98 1.19 0.01 0.00 0.43 0.00 0.00 52.55 55.16 1du7 s ASP 106 Cb -1.39 -2.34 0.62 0.00 -0.30 0.00 0.00 42.92 39.51 1du7 s ASP 106 CO 0.71 -0.29 1.31 -0.62 -0.17 0.00 0.00 175.17 176.10 1du7 n GLU 107 N -0.80 -0.07 -0.23 4.34 1.02 -1.26 0.17 120.64 123.81 1du7 n GLU 107 Ca 0.03 1.25 0.22 0.00 -0.02 0.00 0.00 57.16 58.64 1du7 n GLU 107 Cb 0.53 -1.98 0.56 0.00 -0.02 0.00 0.00 31.44 30.53 1du7 n GLU 107 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1du7 h LYS 108 N 0.00 0.30 -0.62 3.49 1.57 -2.01 0.34 116.57 119.63 1du7 h LYS 108 Ca 0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1du7 h LYS 108 Cb 1.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1du7 h LYS 108 CO -0.79 0.20 0.00 1.04 -0.57 0.00 0.00 179.45 179.33 1du7 n GLN 109 N -4.47 3.03 0.17 3.15 6.02 0.44 -4.47 117.38 121.25 1du7 n GLN 109 Ca 0.20 -2.29 -0.12 0.00 -0.01 0.00 0.00 57.00 54.78 1du7 n GLN 109 Cb 0.77 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 30.26 1du7 n GLN 109 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1du7 h TYR 110 N 3.38 -0.43 -0.98 1.08 0.05 -0.80 -1.57 116.97 117.69 1du7 h TYR 110 Ca 0.00 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.86 1du7 h TYR 110 Cb 1.13 0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.94 1du7 h TYR 110 CO 0.58 -0.10 0.63 -0.44 -1.05 0.00 0.00 178.16 177.78 1du7 h ASP 111 N -0.90 0.95 -0.04 3.88 5.19 -1.78 0.11 116.42 123.82 1du7 h ASP 111 Ca -0.05 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1du7 h ASP 111 Cb 0.53 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1du7 h ASP 111 CO 0.08 0.55 -0.01 0.74 -3.12 0.00 0.00 179.24 177.49 1du7 h THR 112 N 1.04 1.28 0.00 0.35 2.02 -1.82 -2.77 112.91 113.01 1du7 h THR 112 Ca 0.46 -0.85 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 1du7 h THR 112 Cb 0.35 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1du7 h THR 112 CO -0.21 0.23 -0.50 0.58 0.37 0.00 0.00 175.52 175.98 1du7 h VAL 113 N -0.26 1.19 -0.25 3.16 2.07 -0.96 -3.06 116.25 118.14 1du7 h VAL 113 Ca 0.01 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.63 1du7 h VAL 113 Cb 0.37 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1du7 h VAL 113 CO 0.00 0.49 -0.13 -0.08 0.02 0.00 0.00 177.57 177.88 1du7 h GLU 114 N 0.00 0.52 0.19 1.57 4.57 -0.80 -3.09 114.58 117.54 1du7 h GLU 114 Ca -0.01 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1du7 h GLU 114 Cb 0.99 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 1du7 h GLU 114 CO 0.07 0.79 -0.31 1.15 -1.18 0.00 0.00 179.01 179.52 1du7 h THR 115 N 0.25 0.33 -0.98 0.32 2.02 -1.47 -2.31 112.91 111.08 1du7 h THR 115 Ca 0.05 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.46 1du7 h THR 115 Cb 0.63 0.33 -0.12 0.00 -1.74 0.00 0.00 68.15 67.26 1du7 h THR 115 CO 0.04 0.00 0.55 1.56 0.37 0.00 0.00 175.52 178.04 1du7 h GLN 116 N -0.58 0.57 -0.32 6.66 4.20 -1.56 0.62 115.11 124.70 1du7 h GLN 116 Ca 0.01 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1du7 h GLN 116 Cb 0.58 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1du7 h GLN 116 CO -0.14 0.38 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.29 1du7 h LEU 117 N 0.59 0.59 -0.48 1.46 3.38 -1.39 -2.14 115.31 117.31 1du7 h LEU 117 Ca 0.61 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 1du7 h LEU 117 Cb 1.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1du7 h LEU 117 CO -0.46 0.78 -0.12 -0.09 0.09 0.00 0.00 178.44 178.64 1du7 h ARG 118 N 0.38 0.93 -0.84 1.13 2.43 -0.47 -2.17 114.38 115.77 1du7 h ARG 118 Ca 0.09 -0.36 0.18 0.00 -0.81 0.00 0.00 59.98 59.08 1du7 h ARG 118 Cb 0.50 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 1du7 h ARG 118 CO 0.02 1.01 0.56 0.35 -1.51 0.00 0.00 179.97 180.41 1du7 h PHE 119 N 0.78 0.54 0.00 2.20 3.57 0.33 0.69 116.94 125.04 1du7 h PHE 119 Ca 0.12 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.42 1du7 h PHE 119 Cb 0.67 -0.17 0.02 0.00 2.79 0.00 0.00 35.95 39.26 1du7 h PHE 119 CO 0.05 0.17 -0.85 0.52 -2.23 0.00 0.00 178.31 175.97 1du7 h MET 120 N 0.43 0.57 -0.61 1.11 2.86 -0.96 -3.28 114.93 115.04 1du7 h MET 120 Ca 0.43 -0.62 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1du7 h MET 120 Cb 1.01 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1du7 h MET 120 CO -0.15 1.23 0.26 1.79 1.06 0.00 0.00 176.91 181.10 1du7 h THR 121 N 0.16 1.22 0.00 2.22 1.35 -0.43 -1.34 112.91 116.10 1du7 h THR 121 Ca -0.11 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1du7 h THR 121 Cb 1.53 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1du7 h THR 121 CO 0.17 0.27 0.00 -0.62 -0.25 0.00 0.00 175.52 175.08 1du7 n GLU 122 N -4.47 0.32 -0.55 4.72 1.02 0.05 -1.66 120.64 120.06 1du7 n GLU 122 Ca 0.04 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1du7 n GLU 122 Cb 0.15 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.37 1du7 n GLU 122 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1du7 n ASN 123 N -1.15 4.34 0.00 1.62 3.02 -0.55 -4.91 115.26 117.63 1du7 n ASN 123 Ca 0.09 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1du7 n ASN 123 Cb 0.08 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1du7 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1du7 n GLY 124 N -0.20 0.77 3.70 7.41 0.00 -0.66 -5.05 105.19 111.15 1du7 n GLY 124 Ca 0.23 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1du7 n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1du7 s PHE 125 N -2.00 3.36 0.74 1.61 0.08 -0.94 -5.02 117.98 115.82 1du7 s PHE 125 Ca 0.00 0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.19 1du7 s PHE 125 Cb 0.00 -2.13 0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1du7 s PHE 125 CO 0.00 0.25 1.08 -1.54 -0.10 0.00 0.00 175.22 174.91 1du7 s SER 126 N 0.34 4.87 0.21 1.36 1.04 -1.26 -3.52 113.70 116.76 1du7 s SER 126 Ca 0.06 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.08 1du7 s SER 126 Cb -0.11 -2.47 0.31 0.00 0.10 0.00 0.00 66.02 63.84 1du7 s SER 126 CO -0.01 -1.78 1.69 0.25 0.98 0.00 0.00 173.24 174.37 1du7 h LEU 127 N -0.95 -0.09 0.75 2.42 5.85 -1.95 0.27 115.31 121.60 1du7 h LEU 127 Ca -0.44 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1du7 h LEU 127 Cb 1.23 0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.46 1du7 h LEU 127 CO 0.54 -0.04 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.16 1du7 h ARG 128 N 0.21 -0.96 -0.75 1.25 2.43 -1.99 -1.59 114.38 112.97 1du7 h ARG 128 Ca 0.32 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 1du7 h ARG 128 Cb 0.50 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 1du7 h ARG 128 CO -0.45 -0.63 0.41 -0.44 -1.51 0.00 0.00 179.97 177.35 1du7 h ASP 129 N -1.07 0.57 0.13 -3.80 3.32 -1.89 0.13 116.42 113.81 1du7 h ASP 129 Ca -0.10 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1du7 h ASP 129 Cb 0.78 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1du7 h ASP 129 CO 0.17 0.33 -0.08 1.23 -1.72 0.00 0.00 179.24 179.17 1du7 h GLY 130 N 0.70 0.00 0.99 2.75 0.00 -0.78 -1.44 103.07 105.29 1du7 h GLY 130 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.43 1du7 h GLY 130 CO -0.25 0.00 -1.14 -2.00 0.00 0.00 0.00 176.54 173.16 1du7 h LEU 131 N 0.00 0.68 -0.92 3.11 5.85 0.02 -2.74 115.31 121.30 1du7 h LEU 131 Ca -0.00 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 1du7 h LEU 131 Cb 0.17 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1du7 h LEU 131 CO 0.01 1.55 0.53 1.88 -0.34 0.00 0.00 178.44 182.07 1du7 h TYR 132 N -0.08 1.24 0.16 1.25 0.05 -0.35 0.19 116.97 119.43 1du7 h TYR 132 Ca -0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 1du7 h TYR 132 Cb 1.89 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 39.23 1du7 h TYR 132 CO 0.16 0.84 -0.08 0.00 -1.05 0.00 0.00 178.16 178.03 1du7 h ALA 133 N 1.29 -0.22 -0.81 3.88 0.00 -1.36 0.25 119.26 122.29 1du7 h ALA 133 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1du7 h ALA 133 Cb -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1du7 h ALA 133 CO -0.06 -0.59 0.48 0.82 0.00 0.00 0.00 179.25 179.90 1du7 h ILE 134 N -0.29 1.23 -0.31 0.00 2.04 -1.18 -1.81 117.51 117.19 1du7 h ILE 134 Ca -0.02 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1du7 h ILE 134 Cb 0.22 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1du7 h ILE 134 CO 0.04 0.24 -0.06 0.28 0.00 0.00 0.00 178.15 178.64 1du7 h SER 135 N 1.11 0.59 -0.34 1.72 0.02 -0.25 -2.45 113.55 113.95 1du7 h SER 135 Ca 0.29 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1du7 h SER 135 Cb -0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1du7 h SER 135 CO -0.05 0.81 0.19 0.00 -1.14 0.00 0.00 176.83 176.63 1du7 h ALA 136 N 0.80 0.42 -0.79 3.77 0.00 -0.16 0.04 119.26 123.35 1du7 h ALA 136 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1du7 h ALA 136 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1du7 h ALA 136 CO 0.03 -0.18 0.46 0.28 0.00 0.00 0.00 179.25 179.85 1du7 h VAL 137 N 0.38 1.22 0.40 0.00 2.07 -1.32 -1.50 116.25 117.51 1du7 h VAL 137 Ca 0.14 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1du7 h VAL 137 Cb 0.02 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1du7 h VAL 137 CO -0.08 0.24 -0.19 0.28 0.02 0.00 0.00 177.57 177.84 1du7 h SER 138 N 1.09 -0.46 -0.64 0.57 0.02 -0.88 -1.73 113.55 111.52 1du7 h SER 138 Ca 0.28 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1du7 h SER 138 Cb -0.03 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1du7 h SER 138 CO -0.05 -0.17 0.41 0.45 -1.14 0.00 0.00 176.83 176.32 1du7 h HIS 139 N -0.75 0.77 -0.09 3.45 3.86 -0.96 0.93 115.15 122.36 1du7 h HIS 139 Ca -0.06 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1du7 h HIS 139 Cb 0.52 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1du7 h HIS 139 CO -0.00 0.46 0.06 0.35 0.86 0.00 0.00 177.93 179.65 1du7 h PHE 140 N 0.81 0.11 -0.37 2.45 3.57 -1.26 0.43 116.94 122.68 1du7 h PHE 140 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1du7 h PHE 140 Cb -0.03 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1du7 h PHE 140 CO -0.04 0.09 0.18 1.15 -2.23 0.00 0.00 178.31 177.45 1du7 h THR 141 N 0.10 1.17 0.27 4.41 2.02 -1.02 0.45 112.91 120.30 1du7 h THR 141 Ca 0.03 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1du7 h THR 141 Cb 0.01 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1du7 h THR 141 CO -0.01 0.17 -0.27 0.25 0.37 0.00 0.00 175.52 176.04 1du7 h LEU 142 N 0.45 -0.71 -0.34 2.58 5.85 -0.48 0.08 115.31 122.74 1du7 h LEU 142 Ca 0.13 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1du7 h LEU 142 Cb 0.12 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 1du7 h LEU 142 CO -0.02 -0.39 -0.27 1.23 -0.34 0.00 0.00 178.44 178.66 1du7 h GLY 143 N -0.57 -0.15 0.00 3.75 0.00 0.03 0.17 103.07 106.31 1du7 h GLY 143 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1du7 h GLY 143 CO -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.28 1du7 n ALA 144 N -2.91 -0.22 -0.28 3.60 0.00 0.13 -1.89 120.51 118.95 1du7 n ALA 144 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1du7 n ALA 144 Cb 0.31 0.21 0.09 0.00 0.00 0.00 0.00 19.45 20.07 1du7 n ALA 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1du7 h VAL 145 N 0.00 0.20 0.07 0.00 2.07 -0.75 -1.51 116.25 116.33 1du7 h VAL 145 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1du7 h VAL 145 Cb 0.00 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 1du7 h VAL 145 CO 0.00 0.00 -0.49 -0.07 0.02 0.00 0.00 177.57 177.03 1du7 h LEU 146 N -0.01 -1.47 -1.63 2.57 3.38 -0.44 -0.47 115.31 117.25 1du7 h LEU 146 Ca 0.38 0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.79 1du7 h LEU 146 Cb 0.58 0.55 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1du7 h LEU 146 CO -0.81 -0.52 0.70 -0.33 0.09 0.00 0.00 178.44 177.57 1du7 h GLU 147 N -0.68 0.23 0.51 1.13 4.39 -0.56 0.67 114.58 120.27 1du7 h GLU 147 Ca 0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1du7 h GLU 147 Cb 0.72 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1du7 h GLU 147 CO -0.30 0.16 -0.24 0.37 -1.16 0.00 0.00 179.01 177.83 1du7 h GLN 148 N 0.24 -0.66 0.24 2.33 4.15 -0.62 -3.13 115.11 117.66 1du7 h GLN 148 Ca 0.55 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.00 1du7 h GLN 148 Cb 1.69 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.53 1du7 h GLN 148 CO -0.17 -0.35 -0.11 1.96 -1.93 0.00 0.00 178.83 178.22 1du7 h GLN 149 N -0.99 -0.31 0.00 1.69 4.20 -0.03 -1.95 115.11 117.72 1du7 h GLN 149 Ca -0.07 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1du7 h GLN 149 Cb 0.61 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1du7 h GLN 149 CO 0.11 -0.21 0.54 1.49 -0.67 0.00 0.00 178.83 180.10 1du7 h GLU 150 N -0.33 0.00 0.00 1.46 4.57 -1.12 -2.61 114.58 116.55 1du7 h GLU 150 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1du7 h GLU 150 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1du7 h GLU 150 CO 0.05 0.00 -0.38 1.58 -1.18 0.00 0.00 179.01 179.09 1du7 n HIS 151 N -2.63 0.29 0.00 0.92 -0.00 -1.18 -4.25 115.22 108.37 1du7 n HIS 151 Ca -0.01 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1du7 n HIS 151 Cb 0.57 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 1du7 n HIS 151 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1du7 n THR 152 N -3.52 0.00 -2.49 3.57 -1.04 -0.74 -5.12 114.28 104.94 1du7 n THR 152 Ca -0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1du7 n THR 152 Cb 0.20 -0.08 0.02 0.00 -1.82 0.00 0.00 70.33 68.65 1du7 n THR 152 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1du7 n ALA 153 N 0.45 2.52 0.00 2.41 0.00 -1.10 -5.00 120.51 119.79 1du7 n ALA 153 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.22 1du7 n ALA 153 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1du7 n ALA 153 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1du7 n ASP 163 N 0.31 0.00 0.00 0.00 8.00 -1.26 -5.12 116.55 118.49 1du7 n ASP 163 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1du7 n ASP 163 Cb 1.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 1du7 n ASP 163 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1du7 n GLU 164 N -0.40 0.00 0.11 -1.24 1.02 -1.26 -3.03 120.64 115.84 1du7 n GLU 164 Ca 0.00 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.27 1du7 n GLU 164 Cb 0.00 -0.71 0.15 0.00 -0.02 0.00 0.00 31.44 30.86 1du7 n GLU 164 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1du7 n ASN 165 N -0.24 0.00 -4.69 1.62 3.02 -1.26 -4.65 115.26 109.06 1du7 n ASN 165 Ca 0.00 0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 54.68 1du7 n ASN 165 Cb 0.00 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1du7 n ASN 165 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1du7 n LEU 166 N -2.63 3.99 -4.74 3.41 7.94 -1.17 -5.05 117.00 118.75 1du7 n LEU 166 Ca 0.08 1.00 -0.34 0.00 -1.11 0.00 0.00 56.01 55.64 1du7 n LEU 166 Cb 1.11 -1.54 0.07 0.00 0.53 0.00 0.00 43.42 43.59 1du7 n LEU 166 CO 0.08 0.16 0.80 -2.84 -1.11 0.00 0.00 177.39 174.48 1du7 s PRO 167 N 2.52 2.51 0.23 1.96 0.02 -1.26 -4.84 135.00 136.14 1du7 s PRO 167 Ca 0.81 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 1du7 s PRO 167 Cb -0.50 -1.89 0.37 0.00 0.02 0.00 0.00 34.50 32.51 1du7 s PRO 167 CO 0.37 -1.53 1.77 -1.00 -0.33 0.00 0.00 177.00 176.28 1du7 h PRO 168 N 0.09 0.58 0.26 5.54 0.13 -1.96 -0.73 132.00 135.91 1du7 h PRO 168 Ca -0.48 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1du7 h PRO 168 Cb 1.28 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1du7 h PRO 168 CO 0.52 0.38 -0.13 -0.07 -0.23 0.00 0.00 178.00 178.48 1du7 h LEU 169 N 0.60 -0.30 -1.79 1.56 3.38 -1.99 -2.72 115.31 114.05 1du7 h LEU 169 Ca 0.37 -0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.47 1du7 h LEU 169 Cb 0.42 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1du7 h LEU 169 CO -0.29 0.18 0.54 0.25 0.09 0.00 0.00 178.44 179.22 1du7 h LEU 170 N -1.06 0.18 -0.01 1.67 5.85 -1.96 0.45 115.31 120.43 1du7 h LEU 170 Ca -0.04 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1du7 h LEU 170 Cb 0.36 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1du7 h LEU 170 CO 0.06 0.08 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.14 1du7 h ARG 171 N 0.19 0.03 0.00 1.25 2.43 -1.18 0.26 114.38 117.35 1du7 h ARG 171 Ca 0.39 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1du7 h ARG 171 Cb 1.24 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1du7 h ARG 171 CO -0.07 0.44 0.00 -1.91 -1.51 0.00 0.00 179.97 176.92 1du7 n GLU 172 N -4.87 0.22 0.11 0.20 2.13 -0.68 -2.41 120.64 115.33 1du7 n GLU 172 Ca -0.08 0.35 -0.05 0.00 0.66 0.00 0.00 57.16 58.04 1du7 n GLU 172 Cb 0.23 -1.85 -0.02 0.00 0.27 0.00 0.00 31.44 30.06 1du7 n GLU 172 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1du7 h ALA 173 N 2.35 -0.46 0.00 4.31 0.00 -0.67 -3.01 119.26 121.79 1du7 h ALA 173 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1du7 h ALA 173 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1du7 h ALA 173 CO 0.00 -0.43 0.63 -0.07 0.00 0.00 0.00 179.25 179.38 1du7 h LEU 174 N -0.72 0.00 0.14 0.00 3.38 -0.83 1.00 115.31 118.28 1du7 h LEU 174 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 1du7 h LEU 174 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1du7 h LEU 174 CO 0.05 0.00 -1.52 1.56 0.09 0.00 0.00 178.44 178.62 1du7 h GLN 175 N 0.00 0.30 -0.03 1.13 4.20 -1.46 -3.20 115.11 116.04 1du7 h GLN 175 Ca 0.00 -0.50 -0.12 0.00 0.06 0.00 0.00 58.65 58.08 1du7 h GLN 175 Cb 1.27 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1du7 h GLN 175 CO 0.00 1.18 -0.54 0.82 -0.67 0.00 0.00 178.83 179.61 1du7 h ILE 176 N 0.08 1.38 0.00 2.54 2.04 0.11 -2.03 117.51 121.64 1du7 h ILE 176 Ca -0.24 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1du7 h ILE 176 Cb 2.03 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.09 1du7 h ILE 176 CO 0.18 0.54 0.00 0.23 0.00 0.00 0.00 178.15 179.10 1du7 n MET 177 N -3.90 0.17 0.00 2.37 2.81 -0.40 -3.05 117.12 115.12 1du7 n MET 177 Ca -0.02 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1du7 n MET 177 Cb 0.56 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1du7 n MET 177 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1du7 n ASP 178 N -2.17 1.02 -0.83 7.83 8.00 -0.90 -4.63 116.55 124.87 1du7 n ASP 178 Ca 0.01 -1.05 0.05 0.00 0.71 0.00 0.00 54.79 54.52 1du7 n ASP 178 Cb 0.18 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.45 1du7 n ASP 178 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1du7 n SER 179 N -0.02 2.36 -3.54 -2.24 7.64 -0.81 -4.84 113.62 112.16 1du7 n SER 179 Ca 0.00 -2.15 -0.10 0.00 1.01 0.00 0.00 58.87 57.63 1du7 n SER 179 Cb 0.02 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 1du7 n SER 179 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1du7 s ASP 180 N -0.78 -0.38 0.23 6.43 2.15 -1.26 -5.02 116.67 118.04 1du7 s ASP 180 Ca 0.24 0.22 0.23 0.00 0.43 0.00 0.00 52.55 53.67 1du7 s ASP 180 Cb 0.15 0.36 0.94 0.00 -0.30 0.00 0.00 42.92 44.06 1du7 s ASP 180 CO 0.13 -0.49 1.69 -0.90 -0.17 0.00 0.00 175.17 175.43 1du7 n ASP 181 N 0.25 0.61 0.00 -0.34 5.75 -1.26 -4.81 116.55 116.75 1du7 n ASP 181 Ca -0.10 0.64 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1du7 n ASP 181 Cb 0.60 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1du7 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1du7 n GLY 182 N 0.08 1.14 0.26 6.12 0.00 -1.26 -4.91 105.19 106.61 1du7 n GLY 182 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1du7 n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1du7 h GLU 183 N 0.00 0.00 0.00 1.61 4.81 -1.99 -1.55 114.58 117.46 1du7 h GLU 183 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1du7 h GLU 183 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1du7 h GLU 183 CO 0.00 0.04 -0.03 0.37 -0.73 0.00 0.00 179.01 178.66 1du7 h GLN 184 N 0.00 0.01 0.00 1.92 4.15 -1.96 -1.36 115.11 117.88 1du7 h GLN 184 Ca -0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1du7 h GLN 184 Cb 0.08 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1du7 h GLN 184 CO 0.01 0.96 -0.09 0.00 -1.93 0.00 0.00 178.83 177.78 1du7 h ALA 185 N 0.05 1.79 0.17 3.38 0.00 -1.96 0.13 119.26 122.82 1du7 h ALA 185 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1du7 h ALA 185 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1du7 h ALA 185 CO 0.01 0.11 -0.08 0.35 0.00 0.00 0.00 179.25 179.64 1du7 h PHE 186 N 0.00 -0.21 0.00 0.00 3.57 -1.32 -1.49 116.94 117.49 1du7 h PHE 186 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1du7 h PHE 186 Cb 0.17 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1du7 h PHE 186 CO 0.00 0.22 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.16 1du7 h LEU 187 N -0.83 0.00 -0.02 0.59 3.38 -0.88 0.31 115.31 117.86 1du7 h LEU 187 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1du7 h LEU 187 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1du7 h LEU 187 CO 0.04 0.07 -0.47 -0.74 0.09 0.00 0.00 178.44 177.43 1du7 h HIS 188 N 0.00 0.52 0.00 1.13 2.76 -0.74 -2.75 115.15 116.06 1du7 h HIS 188 Ca -0.00 -0.26 -0.02 0.00 -2.20 0.00 0.00 60.37 57.88 1du7 h HIS 188 Cb 0.12 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 1du7 h HIS 188 CO 0.00 1.06 -0.10 0.78 -1.30 0.00 0.00 177.93 178.37 1du7 h GLY 189 N -0.17 0.00 1.93 5.26 0.00 -0.78 -2.94 103.07 106.37 1du7 h GLY 189 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1du7 h GLY 189 CO 0.09 0.00 -0.69 -2.00 0.00 0.00 0.00 176.54 173.95 1du7 h LEU 190 N 0.00 0.08 0.06 3.11 5.85 -0.12 -2.94 115.31 121.34 1du7 h LEU 190 Ca -0.00 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.41 1du7 h LEU 190 Cb 0.40 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.43 1du7 h LEU 190 CO 0.01 0.74 -1.05 -0.33 -0.34 0.00 0.00 178.44 177.48 1du7 h GLU 191 N 0.04 0.60 -0.78 1.25 4.39 -1.33 -2.95 114.58 115.80 1du7 h GLU 191 Ca -0.01 -0.73 0.07 0.00 0.34 0.00 0.00 59.36 59.04 1du7 h GLU 191 Cb 1.22 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 30.03 1du7 h GLU 191 CO 0.09 1.31 0.45 0.77 -1.16 0.00 0.00 179.01 180.48 1du7 h SER 192 N 0.21 0.67 0.34 1.42 0.02 -1.58 -1.06 113.55 113.57 1du7 h SER 192 Ca -0.15 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1du7 h SER 192 Cb 1.73 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1du7 h SER 192 CO 0.20 0.41 -0.16 0.25 -1.14 0.00 0.00 176.83 176.39 1du7 h LEU 193 N 0.80 -0.39 -0.50 5.07 5.85 -1.52 -0.17 115.31 124.45 1du7 h LEU 193 Ca 0.36 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1du7 h LEU 193 Cb 0.26 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1du7 h LEU 193 CO -0.21 -0.22 0.32 0.40 -0.34 0.00 0.00 178.44 178.39 1du7 h ILE 194 N -0.53 1.11 -0.55 4.05 2.04 -1.34 -0.82 117.51 121.46 1du7 h ILE 194 Ca -0.05 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1du7 h ILE 194 Cb 0.40 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1du7 h ILE 194 CO 0.08 0.12 0.22 -0.09 0.00 0.00 0.00 178.15 178.47 1du7 h ARG 195 N 0.65 0.80 -0.86 2.37 9.65 -1.13 0.25 114.38 126.11 1du7 h ARG 195 Ca 0.19 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1du7 h ARG 195 Cb -0.05 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.35 1du7 h ARG 195 CO -0.05 0.66 0.51 0.78 2.80 0.00 0.00 179.97 184.68 1du7 h GLY 196 N 0.92 1.24 1.01 2.80 0.00 0.11 -0.44 103.07 108.72 1du7 h GLY 196 Ca 0.19 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1du7 h GLY 196 CO -0.02 0.50 -0.34 0.74 0.00 0.00 0.00 176.54 177.42 1du7 h PHE 197 N 1.18 0.90 -0.57 5.60 0.04 0.28 -2.66 116.94 121.72 1du7 h PHE 197 Ca 0.31 -0.28 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1du7 h PHE 197 Cb -0.05 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 1du7 h PHE 197 CO 0.00 1.05 0.26 1.49 -0.60 0.00 0.00 178.31 180.51 1du7 h GLU 198 N 0.50 0.46 -0.50 1.51 4.81 -0.52 -0.76 114.58 120.08 1du7 h GLU 198 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1du7 h GLU 198 Cb 0.92 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1du7 h GLU 198 CO 0.08 0.31 0.25 0.28 -0.73 0.00 0.00 179.01 179.20 1du7 h VAL 199 N 0.48 1.16 0.53 0.32 2.07 -0.97 -2.70 116.25 117.14 1du7 h VAL 199 Ca 0.27 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1du7 h VAL 199 Cb 0.26 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1du7 h VAL 199 CO -0.23 0.18 -0.25 -0.61 0.02 0.00 0.00 177.57 176.68 1du7 h GLN 200 N 0.69 -0.68 -0.89 1.57 5.75 -0.83 -3.19 115.11 117.53 1du7 h GLN 200 Ca 0.18 0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.82 1du7 h GLN 200 Cb 0.05 0.16 -0.12 0.00 1.07 0.00 0.00 27.48 28.63 1du7 h GLN 200 CO -0.03 -0.46 -0.54 1.25 -2.65 0.00 0.00 178.83 176.41 1du7 h LEU 201 N -0.91 -1.94 0.00 -2.39 5.85 -1.18 0.87 115.31 115.61 1du7 h LEU 201 Ca -0.07 0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1du7 h LEU 201 Cb 0.54 0.88 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1du7 h LEU 201 CO 0.12 -0.27 0.00 0.35 -0.34 0.00 0.00 178.44 178.30 1du7 n THR 202 N -5.32 0.70 0.08 1.05 -2.24 -1.02 -2.62 114.28 104.91 1du7 n THR 202 Ca 0.03 0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1du7 n THR 202 Cb 0.30 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 1du7 n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1du7 h ALA 203 N 2.50 0.48 -0.85 6.98 0.00 -0.80 -3.47 119.26 124.10 1du7 h ALA 203 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1du7 h ALA 203 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1du7 h ALA 203 CO 0.00 0.94 0.00 1.28 0.00 0.00 0.00 179.25 181.47 1du7 n LEU 204 N -3.63 0.00 0.00 0.00 4.77 -1.08 -1.79 117.00 115.27 1du7 n LEU 204 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1du7 n LEU 204 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1du7 n LEU 204 CO 0.48 0.00 -0.03 0.18 -1.33 0.00 0.00 177.39 176.69 1du7 n LEU 205 N 0.00 0.00 -4.69 2.23 4.77 -1.26 -5.09 117.00 112.96 1du7 n LEU 205 Ca 0.00 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1du7 n LEU 205 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1du7 n LEU 205 CO 0.00 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 176.96 1du7 n GLN 206 N -0.11 2.08 -1.76 3.23 6.02 -0.74 -4.84 117.38 121.25 1du7 n GLN 206 Ca 0.00 0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 57.30 1du7 n GLN 206 Cb 0.00 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 28.92 1du7 n GLN 206 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1du7 s ILE 207 N -0.91 3.18 0.00 5.09 -1.09 -1.26 -4.96 121.20 121.24 1du7 s ILE 207 Ca 0.58 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1du7 s ILE 207 Cb -0.59 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1du7 s ILE 207 CO 0.60 -0.02 0.35 0.55 -1.23 0.00 0.00 174.94 175.18