#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz5 n HIS 2 N 0.00 2.66 -3.61 1.45 -0.00 -1.26 -4.94 115.22 109.53 1xz5 n HIS 2 Ca 0.00 -2.66 -0.39 0.00 -0.00 0.00 0.00 57.72 54.66 1xz5 n HIS 2 Cb 0.00 -1.47 -0.11 0.00 -0.00 0.00 0.00 29.99 28.41 1xz5 n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1xz5 s LEU 3 N -3.17 4.24 0.83 0.27 2.96 -1.26 -5.08 118.68 117.47 1xz5 s LEU 3 Ca 0.43 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 1xz5 s LEU 3 Cb 0.17 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.90 1xz5 s LEU 3 CO -0.09 -0.20 1.13 0.42 -1.32 0.00 0.00 176.35 176.30 1xz5 s THR 4 N 1.66 2.58 0.24 3.68 -4.23 -1.26 -4.70 115.64 113.60 1xz5 s THR 4 Ca 0.05 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1xz5 s THR 4 Cb -0.17 -2.48 0.20 0.00 1.34 0.00 0.00 72.50 71.38 1xz5 s THR 4 CO 0.08 -0.23 1.77 1.55 -0.54 0.00 0.00 174.62 177.25 1xz5 h PRO 5 N -1.31 0.57 0.00 3.99 0.13 -1.99 0.16 132.00 133.55 1xz5 h PRO 5 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xz5 h PRO 5 Cb 1.26 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xz5 h PRO 5 CO 0.47 0.38 0.00 1.05 -0.23 0.00 0.00 178.00 179.66 1xz5 h GLU 6 N 0.58 0.00 0.17 0.86 4.11 -2.00 -0.63 114.58 117.68 1xz5 h GLU 6 Ca 0.38 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.48 1xz5 h GLU 6 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xz5 h GLU 6 CO -0.31 0.00 -1.63 0.93 0.07 0.00 0.00 179.01 178.07 1xz5 h GLU 7 N 0.00 0.35 -0.04 1.06 5.08 -1.09 -3.10 114.58 116.84 1xz5 h GLU 7 Ca 0.00 -0.60 -0.10 0.00 -1.00 0.00 0.00 59.36 57.66 1xz5 h GLU 7 Cb 0.36 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xz5 h GLU 7 CO 0.00 1.25 -0.44 -0.22 -1.00 0.00 0.00 179.01 178.60 1xz5 h LYS 8 N 0.10 0.10 0.02 2.33 3.64 -0.41 -0.93 116.57 121.41 1xz5 h LYS 8 Ca -0.29 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 58.79 1xz5 h LYS 8 Cb 2.08 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.92 1xz5 h LYS 8 CO 0.18 0.53 -0.99 0.66 -2.27 0.00 0.00 179.45 177.56 1xz5 h SER 9 N 0.08 0.83 -0.30 4.20 4.64 -1.23 -2.67 113.55 119.10 1xz5 h SER 9 Ca 0.00 -0.76 -0.08 0.00 -0.47 0.00 0.00 61.79 60.48 1xz5 h SER 9 Cb 0.82 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1xz5 h SER 9 CO 0.06 1.49 -0.09 0.00 -0.87 0.00 0.00 176.83 177.42 1xz5 h ALA 10 N 0.36 1.07 0.03 5.18 0.00 -1.45 0.37 119.26 124.82 1xz5 h ALA 10 Ca -0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xz5 h ALA 10 Cb 1.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1xz5 h ALA 10 CO 0.19 0.57 -0.02 0.28 0.00 0.00 0.00 179.25 180.28 1xz5 h VAL 11 N 0.65 1.13 -0.60 0.00 2.07 -1.17 -2.93 116.25 115.41 1xz5 h VAL 11 Ca 0.12 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1xz5 h VAL 11 Cb 0.54 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1xz5 h VAL 11 CO 0.03 0.13 0.30 0.74 0.02 0.00 0.00 177.57 178.79 1xz5 h THR 12 N -0.26 1.21 0.47 2.57 2.02 -1.26 -0.68 112.91 116.98 1xz5 h THR 12 Ca -0.00 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1xz5 h THR 12 Cb 0.24 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xz5 h THR 12 CO 0.01 0.23 -0.26 0.00 0.37 0.00 0.00 175.52 175.87 1xz5 h ALA 13 N 1.13 -0.68 -0.24 6.16 0.00 -0.28 -2.64 119.26 122.71 1xz5 h ALA 13 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xz5 h ALA 13 Cb 0.10 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xz5 h ALA 13 CO -0.03 -0.89 0.16 1.25 0.00 0.00 0.00 179.25 179.74 1xz5 h LEU 14 N -0.68 0.27 -2.36 0.00 5.85 -1.47 -1.82 115.31 115.09 1xz5 h LEU 14 Ca -0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1xz5 h LEU 14 Cb 0.55 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1xz5 h LEU 14 CO 0.07 0.20 0.21 -0.25 -0.34 0.00 0.00 178.44 178.33 1xz5 h TRP 15 N 0.32 0.00 0.00 1.25 2.91 -1.02 0.25 115.95 119.67 1xz5 h TRP 15 Ca 0.09 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1xz5 h TRP 15 Cb -0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 1xz5 h TRP 15 CO -0.06 0.00 -0.26 0.78 -1.03 0.00 0.00 178.44 177.86 1xz5 h GLY 16 N 0.00 0.00 1.13 2.65 0.00 -0.95 -3.00 103.07 102.90 1xz5 h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xz5 h GLY 16 CO -0.00 0.00 -0.51 0.28 0.00 0.00 0.00 176.54 176.31 1xz5 n LYS 17 N -3.64 0.10 -2.68 4.80 5.02 0.88 -4.93 118.16 117.71 1xz5 n LYS 17 Ca -0.01 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 1xz5 n LYS 17 Cb 0.39 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1xz5 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xz5 s VAL 18 N -3.06 3.93 -0.78 -0.18 1.01 -1.14 -5.01 120.40 115.18 1xz5 s VAL 18 Ca 0.10 1.94 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 1xz5 s VAL 18 Cb 0.16 -4.23 0.19 0.00 0.00 0.00 0.00 36.38 32.51 1xz5 s VAL 18 CO 0.69 0.45 0.75 0.21 0.00 0.00 0.00 175.10 177.20 1xz5 s ASN 19 N -1.12 6.63 0.49 3.32 3.84 -1.26 -4.93 114.94 121.90 1xz5 s ASN 19 Ca 0.42 -2.42 0.19 0.00 0.21 0.00 0.00 52.86 51.26 1xz5 s ASN 19 Cb -0.27 -2.23 1.22 0.00 -0.55 0.00 0.00 41.25 39.42 1xz5 s ASN 19 CO 0.34 -0.69 2.00 -0.37 -2.79 0.00 0.00 177.10 175.59 1xz5 h VAL 20 N 5.11 0.82 0.43 -5.21 -1.51 -1.95 0.13 116.25 114.08 1xz5 h VAL 20 Ca 0.02 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1xz5 h VAL 20 Cb 1.05 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1xz5 h VAL 20 CO 0.85 0.03 -0.23 0.44 -1.23 0.00 0.00 177.57 177.43 1xz5 h ASP 21 N 0.18 -0.57 0.09 4.19 3.32 -1.91 -1.15 116.42 120.56 1xz5 h ASP 21 Ca 0.24 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1xz5 h ASP 21 Cb 0.72 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1xz5 h ASP 21 CO -0.04 -0.38 -0.04 -0.08 -1.72 0.00 0.00 179.24 176.98 1xz5 h GLU 22 N -0.62 -0.11 -0.70 3.56 4.81 -1.72 -2.91 114.58 116.90 1xz5 h GLU 22 Ca -0.05 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xz5 h GLU 22 Cb 0.49 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1xz5 h GLU 22 CO 0.07 0.30 0.42 0.28 -0.73 0.00 0.00 179.01 179.35 1xz5 h VAL 23 N -0.56 1.19 0.09 0.32 2.07 -0.85 -1.99 116.25 116.52 1xz5 h VAL 23 Ca -0.01 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1xz5 h VAL 23 Cb 0.46 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1xz5 h VAL 23 CO 0.02 0.20 -0.21 1.23 0.02 0.00 0.00 177.57 178.83 1xz5 h GLY 24 N 0.98 -0.37 1.02 2.17 0.00 -1.22 0.73 103.07 106.38 1xz5 h GLY 24 Ca 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1xz5 h GLY 24 CO -0.05 -0.19 0.45 -1.33 0.00 0.00 0.00 176.54 175.42 1xz5 h GLY 25 N -0.39 1.19 0.82 4.60 0.00 -1.28 -1.81 103.07 106.21 1xz5 h GLY 25 Ca 0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1xz5 h GLY 25 CO -0.13 0.51 0.00 0.83 0.00 0.00 0.00 176.54 177.76 1xz5 h GLU 26 N 1.11 0.33 -0.25 4.80 4.39 -1.14 -0.61 114.58 123.22 1xz5 h GLU 26 Ca 0.28 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1xz5 h GLU 26 Cb 0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1xz5 h GLU 26 CO -0.05 0.53 0.01 0.00 -1.16 0.00 0.00 179.01 178.34 1xz5 h ALA 27 N 0.79 0.33 -0.45 3.43 0.00 -0.73 -0.87 119.26 121.77 1xz5 h ALA 27 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1xz5 h ALA 27 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xz5 h ALA 27 CO 0.01 0.05 -0.06 1.25 0.00 0.00 0.00 179.25 180.50 1xz5 h LEU 28 N 0.21 0.82 0.26 0.00 5.85 -1.35 -1.70 115.31 119.40 1xz5 h LEU 28 Ca 0.07 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1xz5 h LEU 28 Cb 0.40 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xz5 h LEU 28 CO 0.01 0.97 -0.13 1.23 -0.34 0.00 0.00 178.44 180.18 1xz5 h GLY 29 N 0.66 -0.37 1.05 3.75 0.00 -1.08 -2.46 103.07 104.63 1xz5 h GLY 29 Ca 0.12 0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.66 1xz5 h GLY 29 CO 0.03 -0.13 0.46 3.21 0.00 0.00 0.00 176.54 180.11 1xz5 h ARG 30 N -0.35 0.65 -0.44 4.80 3.08 -1.11 -1.63 114.38 119.37 1xz5 h ARG 30 Ca -0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1xz5 h ARG 30 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1xz5 h ARG 30 CO 0.06 0.43 0.17 1.25 -1.07 0.00 0.00 179.97 180.81 1xz5 h LEU 31 N 0.67 0.61 -1.42 3.04 5.85 -0.96 0.37 115.31 123.49 1xz5 h LEU 31 Ca 0.30 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xz5 h LEU 31 Cb 0.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1xz5 h LEU 31 CO -0.10 0.62 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.46 1xz5 h LEU 32 N 0.57 0.00 0.00 2.25 3.38 -0.87 -1.63 115.31 119.02 1xz5 h LEU 32 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1xz5 h LEU 32 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1xz5 h LEU 32 CO -0.01 0.09 -1.02 0.58 0.09 0.00 0.00 178.44 178.17 1xz5 h VAL 33 N 0.00 1.09 -0.20 1.22 2.07 -0.92 -3.28 116.25 116.24 1xz5 h VAL 33 Ca -0.00 -2.22 -0.16 0.00 0.82 0.00 0.00 66.70 65.14 1xz5 h VAL 33 Cb 0.57 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1xz5 h VAL 33 CO 0.01 0.39 -0.53 0.58 0.02 0.00 0.00 177.57 178.04 1xz5 h VAL 34 N -0.97 1.32 -2.48 2.57 2.07 -0.25 -3.35 116.25 115.15 1xz5 h VAL 34 Ca -0.28 -1.77 -0.60 0.00 0.82 0.00 0.00 66.70 64.87 1xz5 h VAL 34 Cb 1.27 1.74 -0.41 0.00 -1.52 0.00 0.00 31.29 32.36 1xz5 h VAL 34 CO -0.16 0.55 -0.72 -1.22 0.02 0.00 0.00 177.57 176.04 1xz5 n TYR 35 N -3.97 2.22 0.21 1.57 4.01 -0.62 -4.95 117.16 115.63 1xz5 n TYR 35 Ca -0.03 -3.99 0.16 0.00 -0.16 0.00 0.00 57.90 53.88 1xz5 n TYR 35 Cb 0.59 -0.43 0.67 0.00 -0.31 0.00 0.00 39.34 39.87 1xz5 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xz5 h PRO 36 N 4.76 0.00 0.00 -0.72 0.13 -1.71 0.15 132.00 134.62 1xz5 h PRO 36 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1xz5 h PRO 36 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1xz5 h PRO 36 CO 0.67 0.00 -0.18 0.11 -0.23 0.00 0.00 178.00 178.37 1xz5 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.95 115.95 113.74 1xz5 h TRP 37 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.09 1xz5 h TRP 37 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.38 1xz5 h TRP 37 CO 0.00 0.18 0.00 0.25 0.09 0.00 0.00 178.44 178.96 1xz5 n THR 38 N -4.25 0.99 0.34 0.12 -2.24 0.54 -1.90 114.28 107.88 1xz5 n THR 38 Ca -0.02 0.60 0.11 0.00 -2.27 0.00 0.00 64.05 62.47 1xz5 n THR 38 Cb 0.24 -1.58 0.48 0.00 -2.10 0.00 0.00 70.33 67.37 1xz5 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xz5 n GLN 39 N -2.25 0.16 0.01 -0.78 6.02 -0.73 -3.19 117.38 116.62 1xz5 n GLN 39 Ca -0.00 0.46 0.22 0.00 -0.01 0.00 0.00 57.00 57.66 1xz5 n GLN 39 Cb 0.09 -1.85 0.73 0.00 1.02 0.00 0.00 30.24 30.23 1xz5 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1xz5 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.60 -0.64 114.38 111.16 1xz5 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xz5 h ARG 40 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1xz5 h ARG 40 CO 0.00 0.00 -0.43 1.19 0.10 0.00 0.00 179.97 180.83 1xz5 n PHE 41 N -3.95 0.08 -2.13 4.08 3.01 -1.19 -4.38 117.46 112.98 1xz5 n PHE 41 Ca 0.10 0.02 -0.25 0.00 1.01 0.00 0.00 57.45 58.34 1xz5 n PHE 41 Cb 0.71 -0.35 0.02 0.00 -0.01 0.00 0.00 39.48 39.84 1xz5 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xz5 n PHE 42 N -1.59 2.92 0.42 1.38 3.01 -0.25 -4.78 117.46 118.57 1xz5 n PHE 42 Ca 0.05 -2.46 0.12 0.00 1.01 0.00 0.00 57.45 56.18 1xz5 n PHE 42 Cb 0.35 -0.29 0.48 0.00 -0.01 0.00 0.00 39.48 40.02 1xz5 n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1xz5 n GLU 43 N -0.65 0.20 0.00 -1.08 0.28 -1.25 -1.97 120.64 116.16 1xz5 n GLU 43 Ca 0.43 0.40 0.14 0.00 -0.16 0.00 0.00 57.16 57.97 1xz5 n GLU 43 Cb 0.89 -1.86 0.55 0.00 1.43 0.00 0.00 31.44 32.45 1xz5 n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1xz5 n SER 44 N -2.22 0.88 0.07 -1.84 3.41 -1.26 -3.73 113.62 108.92 1xz5 n SER 44 Ca 0.02 -0.97 0.13 0.00 -0.26 0.00 0.00 58.87 57.79 1xz5 n SER 44 Cb 0.25 0.01 0.38 0.00 -0.26 0.00 0.00 64.21 64.59 1xz5 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xz5 n PHE 45 N -0.55 0.58 -0.95 7.33 0.99 -0.83 -5.04 117.46 118.99 1xz5 n PHE 45 Ca 0.16 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1xz5 n PHE 45 Cb 0.30 -0.73 0.00 0.00 -1.00 0.00 0.00 39.48 38.05 1xz5 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xz5 n GLY 46 N 1.37 0.54 3.62 1.37 0.00 -1.24 -4.82 105.19 106.03 1xz5 n GLY 46 Ca 0.05 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1xz5 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xz5 s ASP 47 N -4.00 6.13 -0.05 1.61 3.68 -1.26 -4.82 116.67 117.95 1xz5 s ASP 47 Ca 0.00 1.72 0.08 0.00 2.13 0.00 0.00 52.55 56.48 1xz5 s ASP 47 Cb 0.00 -2.53 0.12 0.00 -1.45 0.00 0.00 42.92 39.06 1xz5 s ASP 47 CO 0.00 -1.45 1.05 0.18 0.13 0.00 0.00 175.17 175.08 1xz5 n LEU 48 N 9.26 1.03 0.12 -1.34 4.77 -1.26 -4.22 117.00 125.36 1xz5 n LEU 48 Ca 0.22 -1.87 0.09 0.00 -0.03 0.00 0.00 56.01 54.42 1xz5 n LEU 48 Cb 0.45 -0.18 0.58 0.00 -2.33 0.00 0.00 43.42 41.94 1xz5 n LEU 48 CO 0.66 0.44 1.12 0.77 -1.33 0.00 0.00 177.39 179.05 1xz5 h SER 49 N 0.00 0.16 -5.42 -1.43 4.64 -1.91 -3.43 113.55 106.16 1xz5 h SER 49 Ca 0.00 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1xz5 h SER 49 Cb 1.20 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 63.10 1xz5 h SER 49 CO 0.00 0.11 -0.62 0.42 -0.87 0.00 0.00 176.83 175.87 1xz5 s THR 50 N -5.20 0.09 0.22 2.95 -4.23 -1.26 -5.02 115.64 103.19 1xz5 s THR 50 Ca -0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1xz5 s THR 50 Cb 0.18 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 71.67 1xz5 s THR 50 CO 0.70 -0.01 1.81 -0.65 -0.54 0.00 0.00 174.62 175.94 1xz5 h PRO 51 N 2.59 0.71 -0.61 3.99 0.11 -1.99 -1.30 132.00 135.50 1xz5 h PRO 51 Ca -0.36 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 1xz5 h PRO 51 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1xz5 h PRO 51 CO 0.54 0.47 0.10 -0.44 -0.21 0.00 0.00 178.00 178.47 1xz5 h ASP 52 N 0.73 0.97 -0.99 -2.05 3.32 -1.97 0.14 116.42 116.57 1xz5 h ASP 52 Ca 0.33 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xz5 h ASP 52 Cb 0.23 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1xz5 h ASP 52 CO -0.20 0.98 0.64 0.00 -1.72 0.00 0.00 179.24 178.94 1xz5 h ALA 53 N 1.02 1.32 0.22 3.45 0.00 -1.68 -1.57 119.26 122.03 1xz5 h ALA 53 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xz5 h ALA 53 Cb 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xz5 h ALA 53 CO 0.01 0.52 -0.10 0.28 0.00 0.00 0.00 179.25 179.95 1xz5 h VAL 54 N 1.23 0.00 -0.82 0.00 2.07 -0.88 -2.86 116.25 114.99 1xz5 h VAL 54 Ca 0.40 -0.63 0.18 0.00 0.82 0.00 0.00 66.70 67.47 1xz5 h VAL 54 Cb 0.03 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 1xz5 h VAL 54 CO -0.13 0.00 0.55 0.24 0.02 0.00 0.00 177.57 178.24 1xz5 h MET 55 N -0.92 0.38 -0.01 1.57 2.07 -0.73 -2.70 114.93 114.59 1xz5 h MET 55 Ca -0.03 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1xz5 h MET 55 Cb 0.22 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1xz5 h MET 55 CO 0.05 0.25 -0.57 0.41 1.07 0.00 0.00 176.91 178.12 1xz5 n GLY 56 N -1.53 -0.39 3.65 8.32 0.00 -0.59 -4.84 105.19 109.81 1xz5 n GLY 56 Ca 0.17 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1xz5 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xz5 s ASN 57 N -2.64 6.28 0.43 1.61 3.84 -1.02 -4.88 114.94 118.57 1xz5 s ASN 57 Ca 0.16 2.44 0.15 0.00 0.21 0.00 0.00 52.86 55.82 1xz5 s ASN 57 Cb 0.18 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.40 1xz5 s ASN 57 CO 0.64 -1.22 1.96 1.55 -2.79 0.00 0.00 177.10 177.24 1xz5 h PRO 58 N 11.33 0.39 -0.39 0.43 0.13 -1.91 -1.62 132.00 140.36 1xz5 h PRO 58 Ca -0.46 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1xz5 h PRO 58 Cb 1.23 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1xz5 h PRO 58 CO 0.95 0.26 -0.30 0.87 -0.23 0.00 0.00 178.00 179.55 1xz5 h LYS 59 N 0.40 0.90 -0.56 0.86 1.57 -1.89 -2.04 116.57 115.81 1xz5 h LYS 59 Ca 0.31 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1xz5 h LYS 59 Cb 0.66 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1xz5 h LYS 59 CO -0.09 1.09 0.09 0.28 -0.57 0.00 0.00 179.45 180.25 1xz5 h VAL 60 N 0.72 1.26 -0.69 0.50 2.07 -1.64 -1.20 116.25 117.26 1xz5 h VAL 60 Ca 0.07 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1xz5 h VAL 60 Cb 0.88 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1xz5 h VAL 60 CO 0.08 0.35 0.31 0.11 0.02 0.00 0.00 177.57 178.44 1xz5 h LYS 61 N 0.81 1.01 -0.37 1.57 1.57 -1.30 -0.26 116.57 119.61 1xz5 h LYS 61 Ca 0.17 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1xz5 h LYS 61 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1xz5 h LYS 61 CO 0.01 0.81 -0.25 0.00 -0.57 0.00 0.00 179.45 179.46 1xz5 h ALA 62 N 1.14 0.52 -0.28 3.86 0.00 -1.25 -2.65 119.26 120.61 1xz5 h ALA 62 Ca 0.23 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1xz5 h ALA 62 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xz5 h ALA 62 CO -0.03 0.52 0.00 1.25 0.00 0.00 0.00 179.25 181.00 1xz5 h HIS 63 N 0.61 0.54 -0.63 0.00 -0.00 -1.05 -2.61 115.15 112.00 1xz5 h HIS 63 Ca 0.07 -0.09 0.07 0.00 -0.00 0.00 0.00 60.37 60.42 1xz5 h HIS 63 Cb 0.82 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.05 1xz5 h HIS 63 CO 0.06 0.63 0.42 0.78 -0.00 0.00 0.00 177.93 179.83 1xz5 h GLY 64 N 0.28 0.76 1.29 5.26 0.00 -1.04 0.54 103.07 110.17 1xz5 h GLY 64 Ca 0.08 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 1xz5 h GLY 64 CO 0.01 0.17 -0.45 1.70 0.00 0.00 0.00 176.54 177.97 1xz5 h LYS 65 N 0.59 0.76 0.37 4.80 3.64 -1.29 -1.24 116.57 124.20 1xz5 h LYS 65 Ca 0.28 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1xz5 h LYS 65 Cb 0.33 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xz5 h LYS 65 CO -0.09 1.05 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.75 1xz5 h LYS 66 N 0.61 -0.48 -0.03 1.90 3.64 -0.78 0.65 116.57 122.08 1xz5 h LYS 66 Ca 0.04 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1xz5 h LYS 66 Cb 1.02 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1xz5 h LYS 66 CO 0.10 -0.23 -0.11 0.28 -2.27 0.00 0.00 179.45 177.22 1xz5 h VAL 67 N -0.65 0.72 0.00 2.00 2.07 -0.92 -1.35 116.25 118.12 1xz5 h VAL 67 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1xz5 h VAL 67 Cb 0.47 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xz5 h VAL 67 CO 0.08 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 177.42 1xz5 h LEU 68 N -0.16 0.00 0.13 2.57 3.38 -1.22 -1.41 115.31 118.60 1xz5 h LEU 68 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xz5 h LEU 68 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xz5 h LEU 68 CO -0.13 0.18 -0.06 1.23 0.09 0.00 0.00 178.44 179.75 1xz5 h GLY 69 N 1.61 -0.18 1.24 0.83 0.00 0.02 0.11 103.07 106.70 1xz5 h GLY 69 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xz5 h GLY 69 CO 0.02 -0.07 0.46 0.00 0.00 0.00 0.00 176.54 176.96 1xz5 h ALA 70 N 0.50 1.40 -0.45 3.60 0.00 -0.89 -2.26 119.26 121.16 1xz5 h ALA 70 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1xz5 h ALA 70 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xz5 h ALA 70 CO 0.03 0.53 -0.07 0.35 0.00 0.00 0.00 179.25 180.09 1xz5 h PHE 71 N 1.03 0.94 -0.82 0.00 3.57 -1.04 -2.67 116.94 117.96 1xz5 h PHE 71 Ca 0.27 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1xz5 h PHE 71 Cb -0.06 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 1xz5 h PHE 71 CO 0.00 0.93 0.44 0.77 -2.23 0.00 0.00 178.31 178.22 1xz5 h SER 72 N 0.69 1.02 -0.77 0.41 0.02 -0.23 -1.19 113.55 113.50 1xz5 h SER 72 Ca 0.12 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1xz5 h SER 72 Cb 0.60 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1xz5 h SER 72 CO 0.04 0.82 0.42 0.44 -1.14 0.00 0.00 176.83 177.41 1xz5 h ASP 73 N 1.15 0.98 -0.75 3.07 5.19 -1.25 -1.78 116.42 123.02 1xz5 h ASP 73 Ca 0.29 -0.09 0.07 0.00 -0.62 0.00 0.00 57.03 56.69 1xz5 h ASP 73 Cb 0.03 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.25 1xz5 h ASP 73 CO -0.05 0.80 0.49 1.23 -3.12 0.00 0.00 179.24 178.59 1xz5 h GLY 74 N 1.13 0.99 2.00 2.75 0.00 -0.90 -1.35 103.07 107.68 1xz5 h GLY 74 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xz5 h GLY 74 CO -0.04 0.21 0.00 1.04 0.00 0.00 0.00 176.54 177.75 1xz5 n LEU 75 N -4.49 0.35 -0.61 3.11 4.77 -0.67 -2.02 117.00 117.44 1xz5 n LEU 75 Ca 0.11 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.80 1xz5 n LEU 75 Cb 0.26 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1xz5 n LEU 75 CO 0.33 -0.45 0.40 0.00 -1.33 0.00 0.00 177.39 176.34 1xz5 n ALA 76 N -1.65 3.16 -2.62 -1.18 0.00 -0.51 -4.35 120.51 113.37 1xz5 n ALA 76 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1xz5 n ALA 76 Cb 0.18 -0.76 0.03 0.00 0.00 0.00 0.00 19.45 18.91 1xz5 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz5 n HIS 77 N 0.39 1.71 0.10 0.00 8.25 -0.86 -4.88 115.22 119.93 1xz5 n HIS 77 Ca 0.10 -2.47 0.03 0.00 -0.26 0.00 0.00 57.72 55.12 1xz5 n HIS 77 Cb 0.49 -0.28 0.16 0.00 1.12 0.00 0.00 29.99 31.48 1xz5 n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xz5 n LEU 78 N -0.43 0.12 0.03 2.41 7.94 -1.15 -0.62 117.00 125.30 1xz5 n LEU 78 Ca 0.17 0.55 0.01 0.00 -1.11 0.00 0.00 56.01 55.64 1xz5 n LEU 78 Cb 0.82 -0.56 -0.08 0.00 0.53 0.00 0.00 43.42 44.12 1xz5 n LEU 78 CO 0.21 -0.55 -0.34 -0.67 -1.11 0.00 0.00 177.39 174.93 1xz5 n ASP 79 N -1.66 0.75 -3.14 1.96 4.64 -1.26 -2.44 116.55 115.40 1xz5 n ASP 79 Ca 0.00 0.32 -0.21 0.00 -1.38 0.00 0.00 54.79 53.52 1xz5 n ASP 79 Cb 0.03 0.36 -0.05 0.00 -1.04 0.00 0.00 41.12 40.43 1xz5 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1xz5 n ASN 80 N -2.81 -0.03 -0.07 1.67 5.15 0.21 -4.84 115.26 114.54 1xz5 n ASN 80 Ca -0.10 -2.82 -0.14 0.00 -0.60 0.00 0.00 54.58 50.93 1xz5 n ASN 80 Cb 0.81 -0.37 -0.06 0.00 -0.53 0.00 0.00 39.78 39.62 1xz5 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xz5 h LEU 81 N 3.81 0.61 -0.87 1.20 3.38 -1.77 -0.78 115.31 120.88 1xz5 h LEU 81 Ca 0.05 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.54 1xz5 h LEU 81 Cb 0.91 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1xz5 h LEU 81 CO 0.45 0.99 0.57 0.11 0.09 0.00 0.00 178.44 180.65 1xz5 h LYS 82 N 0.24 1.09 0.59 1.13 1.57 -1.90 0.15 116.57 119.44 1xz5 h LYS 82 Ca 0.03 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1xz5 h LYS 82 Cb 0.84 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1xz5 h LYS 82 CO 0.06 0.72 -0.28 0.78 -0.57 0.00 0.00 179.45 180.16 1xz5 h GLY 83 N 1.12 -0.83 0.09 3.86 0.00 -1.93 -1.94 103.07 103.46 1xz5 h GLY 83 Ca 0.34 0.31 0.11 0.00 0.00 0.00 0.00 47.33 48.08 1xz5 h GLY 83 CO -0.10 -0.30 0.03 -0.84 0.00 0.00 0.00 176.54 175.33 1xz5 h THR 84 N -0.89 0.58 -0.13 4.70 2.02 -0.73 -2.87 112.91 115.58 1xz5 h THR 84 Ca -0.08 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1xz5 h THR 84 Cb 0.64 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1xz5 h THR 84 CO 0.13 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.54 1xz5 n PHE 85 N -5.22 0.16 -0.07 3.16 3.01 0.49 -4.60 117.46 114.40 1xz5 n PHE 85 Ca 0.08 -0.08 -0.07 0.00 1.01 0.00 0.00 57.45 58.38 1xz5 n PHE 85 Cb 0.31 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.77 1xz5 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xz5 h ALA 86 N 4.19 0.17 -0.22 4.37 0.00 -1.11 0.27 119.26 126.93 1xz5 h ALA 86 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1xz5 h ALA 86 Cb 0.54 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1xz5 h ALA 86 CO 0.00 -0.47 -0.26 1.79 0.00 0.00 0.00 179.25 180.31 1xz5 h THR 87 N -0.01 1.26 -0.37 0.00 1.35 -1.82 -1.55 112.91 111.77 1xz5 h THR 87 Ca 0.13 -1.24 -0.11 0.00 -0.55 0.00 0.00 66.41 64.64 1xz5 h THR 87 Cb 0.22 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1xz5 h THR 87 CO -0.29 0.39 -0.19 0.25 -0.25 0.00 0.00 175.52 175.43 1xz5 h LEU 88 N 0.37 0.80 -0.52 3.87 5.85 -1.76 -1.70 115.31 122.23 1xz5 h LEU 88 Ca 0.05 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1xz5 h LEU 88 Cb 0.65 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1xz5 h LEU 88 CO 0.05 1.04 0.33 -1.28 -0.34 0.00 0.00 178.44 178.23 1xz5 h SER 89 N 0.57 0.56 -0.66 1.25 0.87 -0.19 -0.87 113.55 115.08 1xz5 h SER 89 Ca 0.08 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1xz5 h SER 89 Cb 0.74 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1xz5 h SER 89 CO 0.06 0.40 0.43 -0.33 -0.53 0.00 0.00 176.83 176.86 1xz5 h GLU 90 N 0.67 0.86 -0.08 2.24 5.08 -1.13 -2.43 114.58 119.79 1xz5 h GLU 90 Ca 0.20 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xz5 h GLU 90 Cb -0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1xz5 h GLU 90 CO -0.06 0.57 0.04 1.25 -1.00 0.00 0.00 179.01 179.80 1xz5 h LEU 91 N 0.88 0.10 -1.25 1.33 5.85 -0.76 -0.52 115.31 120.94 1xz5 h LEU 91 Ca 0.24 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xz5 h LEU 91 Cb -0.09 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1xz5 h LEU 91 CO -0.06 0.18 0.46 0.45 -0.34 0.00 0.00 178.44 179.14 1xz5 h HIS 92 N 0.02 0.93 0.04 1.25 3.86 -1.05 0.21 115.15 120.40 1xz5 h HIS 92 Ca 0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1xz5 h HIS 92 Cb 0.10 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1xz5 h HIS 92 CO -0.04 0.60 -0.02 0.00 0.86 0.00 0.00 177.93 179.33 1xz5 h ASP 94 N -0.16 0.36 0.00 0.00 3.32 -1.13 -2.85 116.42 115.96 1xz5 h ASP 94 Ca -0.01 -0.17 -0.34 0.00 0.02 0.00 0.00 57.03 56.54 1xz5 h ASP 94 Cb 0.04 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1xz5 h ASP 94 CO 0.01 0.77 -2.11 0.29 -1.72 0.00 0.00 179.24 176.49 1xz5 n LYS 95 N -3.99 0.47 0.06 3.56 4.01 0.59 -4.73 118.16 118.12 1xz5 n LYS 95 Ca -0.02 0.20 -0.06 0.00 -0.51 0.00 0.00 58.31 57.93 1xz5 n LYS 95 Cb 0.53 -1.29 -0.10 0.00 -0.51 0.00 0.00 35.03 33.65 1xz5 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1xz5 h LEU 96 N -0.80 0.00 -1.40 -0.35 3.38 -1.22 -3.49 115.31 111.44 1xz5 h LEU 96 Ca -0.51 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.13 1xz5 h LEU 96 Cb 1.43 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.33 1xz5 h LEU 96 CO -0.31 0.92 -0.69 1.41 0.09 0.00 0.00 178.44 179.86 1xz5 n HIS 97 N -3.28 -2.27 -3.26 1.13 8.25 0.17 -4.98 115.22 110.99 1xz5 n HIS 97 Ca -0.02 0.91 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1xz5 n HIS 97 Cb 0.93 -4.86 -0.08 0.00 1.12 0.00 0.00 29.99 27.10 1xz5 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xz5 s VAL 98 N -3.32 5.06 0.11 1.59 1.01 -0.11 -5.01 120.40 119.73 1xz5 s VAL 98 Ca 0.19 0.63 -0.32 0.00 0.00 0.00 0.00 61.98 62.47 1xz5 s VAL 98 Cb -0.08 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 1xz5 s VAL 98 CO 0.68 -0.03 1.81 -0.67 0.00 0.00 0.00 175.10 176.89 1xz5 n ASP 99 N 5.60 3.88 0.32 3.32 4.64 -1.26 -4.72 116.55 128.33 1xz5 n ASP 99 Ca -0.05 1.00 0.19 0.00 -1.38 0.00 0.00 54.79 54.55 1xz5 n ASP 99 Cb 0.50 -1.52 1.02 0.00 -1.04 0.00 0.00 41.12 40.08 1xz5 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xz5 h PRO 100 N 8.23 0.00 -0.10 -0.67 0.11 -1.96 -1.66 132.00 135.95 1xz5 h PRO 100 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1xz5 h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xz5 h PRO 100 CO 0.94 0.00 0.07 1.49 -0.21 0.00 0.00 178.00 180.29 1xz5 h GLU 101 N 0.00 0.08 -0.96 1.05 4.57 -1.98 -1.18 114.58 116.16 1xz5 h GLU 101 Ca 0.01 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1xz5 h GLU 101 Cb 0.32 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 1xz5 h GLU 101 CO -0.00 0.05 0.61 -0.91 -1.18 0.00 0.00 179.01 177.59 1xz5 h ASN 102 N 0.08 0.86 -0.11 1.04 -0.26 -1.67 0.85 115.58 116.36 1xz5 h ASN 102 Ca 0.04 0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1xz5 h ASN 102 Cb 0.07 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 1xz5 h ASN 102 CO -0.01 0.46 -0.13 -0.26 -1.06 0.00 0.00 177.43 176.43 1xz5 h PHE 103 N 0.92 0.50 0.01 1.19 0.04 -1.40 -0.23 116.94 117.97 1xz5 h PHE 103 Ca 0.47 -0.08 -0.24 0.00 2.80 0.00 0.00 57.97 60.93 1xz5 h PHE 103 Cb 0.51 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1xz5 h PHE 103 CO -0.00 0.59 -0.98 0.00 -0.60 0.00 0.00 178.31 177.31 1xz5 h ARG 104 N 0.43 0.48 0.00 1.51 3.08 -0.86 -2.14 114.38 116.88 1xz5 h ARG 104 Ca 0.08 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1xz5 h ARG 104 Cb 0.49 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1xz5 h ARG 104 CO 0.03 1.17 -0.00 -0.07 -1.07 0.00 0.00 179.97 180.02 1xz5 h LEU 105 N 0.26 -0.01 -0.85 3.04 3.38 -0.85 -1.44 115.31 118.85 1xz5 h LEU 105 Ca -0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xz5 h LEU 105 Cb 1.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.31 1xz5 h LEU 105 CO 0.18 -0.00 0.51 0.25 0.09 0.00 0.00 178.44 179.46 1xz5 h LEU 106 N -0.01 0.79 -0.65 1.67 5.85 -1.07 -0.60 115.31 121.28 1xz5 h LEU 106 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1xz5 h LEU 106 Cb 0.01 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1xz5 h LEU 106 CO -0.00 0.49 0.37 1.23 -0.34 0.00 0.00 178.44 180.18 1xz5 h GLY 107 N 0.91 0.95 0.95 3.75 0.00 -0.76 0.45 103.07 109.33 1xz5 h GLY 107 Ca 0.38 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1xz5 h GLY 107 CO -0.20 0.17 0.03 3.43 0.00 0.00 0.00 176.54 179.98 1xz5 h ASN 108 N 0.69 0.69 -0.39 0.19 2.35 -0.22 -2.17 115.58 116.72 1xz5 h ASN 108 Ca 0.29 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1xz5 h ASN 108 Cb 0.15 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 1xz5 h ASN 108 CO -0.16 0.81 0.22 0.58 -1.65 0.00 0.00 177.43 177.23 1xz5 h VAL 109 N 0.55 1.02 -0.78 2.81 2.07 -0.74 -2.17 116.25 119.02 1xz5 h VAL 109 Ca 0.12 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1xz5 h VAL 109 Cb 0.44 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1xz5 h VAL 109 CO 0.02 0.08 0.48 0.25 0.02 0.00 0.00 177.57 178.41 1xz5 h LEU 110 N 0.45 0.75 -1.07 2.57 5.85 -0.77 -0.43 115.31 122.67 1xz5 h LEU 110 Ca 0.16 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1xz5 h LEU 110 Cb 0.03 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1xz5 h LEU 110 CO -0.09 0.50 0.18 0.58 -0.34 0.00 0.00 178.44 179.27 1xz5 h VAL 111 N 0.89 1.22 -0.41 1.05 2.07 -0.96 0.17 116.25 120.29 1xz5 h VAL 111 Ca 0.33 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1xz5 h VAL 111 Cb 0.12 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1xz5 h VAL 111 CO -0.15 0.28 -0.27 0.00 0.02 0.00 0.00 177.57 177.45 1xz5 h VAL 113 N 0.74 1.20 -0.41 0.00 2.07 -0.36 0.19 116.25 119.69 1xz5 h VAL 113 Ca 0.09 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1xz5 h VAL 113 Cb 0.82 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xz5 h VAL 113 CO 0.07 0.23 -0.04 -0.07 0.02 0.00 0.00 177.57 177.78 1xz5 h LEU 114 N 0.75 0.65 -0.30 2.57 3.38 -0.90 -1.59 115.31 119.86 1xz5 h LEU 114 Ca 0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1xz5 h LEU 114 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xz5 h LEU 114 CO -0.02 0.75 -0.06 0.00 0.09 0.00 0.00 178.44 179.19 1xz5 h ALA 115 N 1.32 0.42 -0.36 1.53 0.00 -0.60 -0.71 119.26 120.86 1xz5 h ALA 115 Ca 0.12 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xz5 h ALA 115 Cb 0.46 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1xz5 h ALA 115 CO 0.02 0.23 -0.04 1.25 0.00 0.00 0.00 179.25 180.71 1xz5 h HIS 116 N 0.35 -0.10 -0.02 0.00 -0.00 -0.34 -0.96 115.15 114.08 1xz5 h HIS 116 Ca 0.08 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.36 1xz5 h HIS 116 Cb 0.54 0.10 0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1xz5 h HIS 116 CO 0.05 -0.11 -0.44 0.45 -0.00 0.00 0.00 177.93 177.88 1xz5 h HIS 117 N 0.05 0.49 -0.01 5.26 -0.00 -1.28 -3.37 115.15 116.30 1xz5 h HIS 117 Ca 0.18 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1xz5 h HIS 117 Cb 0.26 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1xz5 h HIS 117 CO -0.29 1.04 -0.47 1.19 -0.00 0.00 0.00 177.93 179.41 1xz5 n PHE 118 N -4.34 0.00 -0.28 2.45 3.01 -0.28 -5.03 117.46 113.00 1xz5 n PHE 118 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1xz5 n PHE 118 Cb 0.59 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1xz5 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xz5 n GLY 119 N 1.41 2.99 0.33 1.37 0.00 -0.37 -1.40 105.19 109.52 1xz5 n GLY 119 Ca 0.09 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1xz5 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xz5 h LYS 120 N 0.00 0.00 0.00 1.61 3.11 -1.96 -0.75 116.57 118.58 1xz5 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1xz5 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1xz5 h LYS 120 CO 0.00 0.00 -0.02 1.49 -2.81 0.00 0.00 179.45 178.11 1xz5 h GLU 121 N 0.00 0.00 -3.85 1.90 4.81 -1.63 -3.26 114.58 112.55 1xz5 h GLU 121 Ca 0.02 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.50 1xz5 h GLU 121 Cb 0.22 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.43 1xz5 h GLU 121 CO -0.00 0.02 1.77 0.34 -0.73 0.00 0.00 179.01 180.42 1xz5 n PHE 122 N -3.16 3.53 -1.60 0.92 7.35 -0.29 -4.94 117.46 119.28 1xz5 n PHE 122 Ca -0.01 -2.96 -0.32 0.00 -0.76 0.00 0.00 57.45 53.40 1xz5 n PHE 122 Cb 0.24 -1.99 0.06 0.00 0.35 0.00 0.00 39.48 38.14 1xz5 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz5 s THR 123 N 0.60 3.39 0.23 -2.13 -4.23 -1.23 -4.75 115.64 107.51 1xz5 s THR 123 Ca 0.40 0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 61.30 1xz5 s THR 123 Cb 0.06 -3.09 0.24 0.00 1.34 0.00 0.00 72.50 71.05 1xz5 s THR 123 CO 0.01 -0.48 1.56 -0.65 -0.54 0.00 0.00 174.62 174.52 1xz5 h PRO 124 N -0.39 -0.04 0.00 3.99 0.11 -1.94 0.37 132.00 134.10 1xz5 h PRO 124 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1xz5 h PRO 124 Cb 1.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1xz5 h PRO 124 CO 0.54 -0.03 -0.26 -1.00 -0.21 0.00 0.00 178.00 177.04 1xz5 h PRO 125 N -0.04 0.00 -0.03 1.05 0.13 -1.99 -1.67 132.00 129.45 1xz5 h PRO 125 Ca 0.33 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.27 1xz5 h PRO 125 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1xz5 h PRO 125 CO -0.91 0.26 -0.82 0.28 -0.23 0.00 0.00 178.00 176.58 1xz5 h VAL 126 N 0.00 1.43 -0.63 1.56 2.07 -0.75 -2.83 116.25 117.10 1xz5 h VAL 126 Ca -0.00 -2.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.08 1xz5 h VAL 126 Cb 0.62 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1xz5 h VAL 126 CO 0.03 0.70 0.14 -0.61 0.02 0.00 0.00 177.57 177.86 1xz5 h GLN 127 N 0.19 1.02 -0.65 1.57 4.15 -0.24 -2.09 115.11 119.06 1xz5 h GLN 127 Ca -0.05 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1xz5 h GLN 127 Cb 1.43 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.95 1xz5 h GLN 127 CO 0.13 0.93 0.37 0.00 -1.93 0.00 0.00 178.83 178.34 1xz5 h ALA 128 N 1.05 1.42 -0.28 3.38 0.00 -1.19 0.13 119.26 123.77 1xz5 h ALA 128 Ca 0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1xz5 h ALA 128 Cb 0.38 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xz5 h ALA 128 CO 0.00 0.48 -0.25 0.00 0.00 0.00 0.00 179.25 179.49 1xz5 h ALA 129 N 1.51 0.41 -0.31 0.00 0.00 -1.31 -2.71 119.26 116.85 1xz5 h ALA 129 Ca 0.23 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1xz5 h ALA 129 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xz5 h ALA 129 CO -0.04 0.39 -0.19 1.88 0.00 0.00 0.00 179.25 181.29 1xz5 h TYR 130 N 0.40 0.62 -0.44 0.00 0.05 -0.88 -1.61 116.97 115.10 1xz5 h TYR 130 Ca 0.05 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1xz5 h TYR 130 Cb 0.80 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 1xz5 h TYR 130 CO 0.07 0.72 0.29 1.96 -1.05 0.00 0.00 178.16 180.15 1xz5 h GLN 131 N 0.51 0.57 -0.84 4.88 1.08 -0.68 0.34 115.11 120.97 1xz5 h GLN 131 Ca 0.08 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1xz5 h GLN 131 Cb 0.61 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1xz5 h GLN 131 CO 0.04 0.38 0.54 0.87 -0.95 0.00 0.00 178.83 179.72 1xz5 h LYS 132 N 0.59 1.12 0.01 1.46 1.57 -1.22 -1.94 116.57 118.16 1xz5 h LYS 132 Ca 0.16 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xz5 h LYS 132 Cb -0.06 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1xz5 h LYS 132 CO -0.04 0.75 -0.00 0.28 -0.57 0.00 0.00 179.45 179.87 1xz5 h VAL 133 N 1.14 1.27 -0.08 0.50 2.07 -0.35 -1.88 116.25 118.93 1xz5 h VAL 133 Ca 0.31 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1xz5 h VAL 133 Cb -0.11 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1xz5 h VAL 133 CO -0.06 0.22 -0.15 -0.37 0.02 0.00 0.00 177.57 177.22 1xz5 h VAL 134 N -0.37 1.16 -0.38 2.57 -1.51 -0.29 -1.64 116.25 115.79 1xz5 h VAL 134 Ca -0.00 -0.71 -0.10 0.00 -1.23 0.00 0.00 66.70 64.66 1xz5 h VAL 134 Cb 0.36 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1xz5 h VAL 134 CO 0.00 0.21 -0.15 0.00 -1.23 0.00 0.00 177.57 176.40 1xz5 h ALA 135 N 1.73 0.53 -0.48 5.19 0.00 -1.29 -1.14 119.26 123.80 1xz5 h ALA 135 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xz5 h ALA 135 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xz5 h ALA 135 CO 0.02 0.45 0.30 0.78 0.00 0.00 0.00 179.25 180.80 1xz5 h GLY 136 N 0.57 0.69 0.87 0.00 0.00 -0.81 0.26 103.07 104.65 1xz5 h GLY 136 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1xz5 h GLY 136 CO 0.05 0.27 0.05 -2.08 0.00 0.00 0.00 176.54 174.83 1xz5 h VAL 137 N 0.64 1.15 -0.66 4.60 2.07 -1.23 0.17 116.25 122.98 1xz5 h VAL 137 Ca 0.17 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1xz5 h VAL 137 Cb -0.03 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1xz5 h VAL 137 CO -0.03 0.14 0.35 0.00 0.02 0.00 0.00 177.57 178.04 1xz5 h ALA 138 N 0.89 0.89 -0.28 1.67 0.00 -0.91 0.28 119.26 121.80 1xz5 h ALA 138 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xz5 h ALA 138 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xz5 h ALA 138 CO -0.00 -0.00 0.06 -0.91 0.00 0.00 0.00 179.25 178.40 1xz5 h ASN 139 N 0.63 0.43 -0.80 0.00 -0.26 -0.69 -1.60 115.58 113.29 1xz5 h ASN 139 Ca 0.31 -0.24 0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1xz5 h ASN 139 Cb 0.24 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 37.33 1xz5 h ASN 139 CO -0.21 0.56 0.49 0.00 -1.06 0.00 0.00 177.43 177.21 1xz5 h ALA 140 N 0.89 1.08 0.00 -0.83 0.00 -0.05 -0.74 119.26 119.60 1xz5 h ALA 140 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xz5 h ALA 140 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xz5 h ALA 140 CO 0.00 0.25 -0.04 -0.07 0.00 0.00 0.00 179.25 179.39 1xz5 h LEU 141 N 0.92 0.00 0.00 0.00 3.38 -0.18 -3.00 115.31 116.43 1xz5 h LEU 141 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1xz5 h LEU 141 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xz5 h LEU 141 CO -0.15 0.04 -0.97 0.00 0.09 0.00 0.00 178.44 177.45 1xz5 n ALA 142 N -2.12 4.38 -0.19 1.53 0.00 -0.56 -4.47 120.51 119.09 1xz5 n ALA 142 Ca 0.01 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.04 1xz5 n ALA 142 Cb 0.35 -0.84 0.45 0.00 0.00 0.00 0.00 19.45 19.41 1xz5 n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xz5 h HIS 143 N 0.00 0.60 -0.34 0.00 2.07 -1.03 -1.66 115.15 114.79 1xz5 h HIS 143 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1xz5 h HIS 143 Cb 0.54 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 30.33 1xz5 h HIS 143 CO 0.00 0.24 0.00 1.63 -3.07 0.00 0.00 177.93 176.73 1xz5 n LYS 144 N -4.50 1.95 -2.38 5.12 4.76 -1.26 -4.92 118.16 116.94 1xz5 n LYS 144 Ca 0.14 -1.46 -0.34 0.00 -2.87 0.00 0.00 58.31 53.78 1xz5 n LYS 144 Cb 0.47 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.27 1xz5 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xz5 s TYR 145 N -1.55 2.90 0.00 2.13 2.02 -0.63 -4.78 117.35 117.45 1xz5 s TYR 145 Ca 0.31 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.56 1xz5 s TYR 145 Cb 0.16 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1xz5 s TYR 145 CO 0.23 -1.09 0.00 -2.39 -1.57 0.00 0.00 175.55 170.73