#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz2 s HIS 2 N 0.00 3.11 -0.00 3.52 2.46 -1.26 -4.69 115.29 118.42 1xz2 s HIS 2 Ca 0.00 0.56 0.02 0.00 0.47 0.00 0.00 55.06 56.12 1xz2 s HIS 2 Cb 0.00 -3.43 -0.03 0.00 -0.13 0.00 0.00 32.58 28.99 1xz2 s HIS 2 CO 0.00 -0.75 -0.04 -0.51 -2.47 0.00 0.00 174.74 170.97 1xz2 s LEU 3 N 3.13 3.31 0.76 8.88 1.43 -1.26 -5.10 118.68 129.83 1xz2 s LEU 3 Ca 0.32 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1xz2 s LEU 3 Cb -0.13 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1xz2 s LEU 3 CO 0.17 0.29 1.08 0.42 0.23 0.00 0.00 176.35 178.54 1xz2 s THR 4 N -1.02 3.45 0.26 5.49 -4.23 -1.26 -4.76 115.64 113.56 1xz2 s THR 4 Ca 0.18 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1xz2 s THR 4 Cb -0.11 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 70.81 1xz2 s THR 4 CO 0.08 -0.61 1.78 -0.65 -0.54 0.00 0.00 174.62 174.68 1xz2 h PRO 5 N -1.00 0.67 -0.04 3.99 0.11 -1.99 -0.79 132.00 132.95 1xz2 h PRO 5 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1xz2 h PRO 5 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xz2 h PRO 5 CO 0.57 0.44 -0.40 1.05 -0.21 0.00 0.00 178.00 179.45 1xz2 h GLU 6 N 0.69 0.08 -0.08 1.05 9.09 -1.99 -1.72 114.58 121.69 1xz2 h GLU 6 Ca 0.44 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.80 1xz2 h GLU 6 Cb 0.56 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1xz2 h GLU 6 CO -0.32 0.47 -0.01 0.93 0.05 0.00 0.00 179.01 180.12 1xz2 h GLU 7 N 0.07 0.15 -0.45 1.06 5.08 -1.66 -1.63 114.58 117.20 1xz2 h GLU 7 Ca 0.00 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1xz2 h GLU 7 Cb 0.74 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1xz2 h GLU 7 CO 0.05 0.45 -0.01 0.87 -1.00 0.00 0.00 179.01 179.37 1xz2 h LYS 8 N -0.17 0.09 -0.71 2.33 1.57 -0.94 -0.40 116.57 118.35 1xz2 h LYS 8 Ca 0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xz2 h LYS 8 Cb 0.39 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1xz2 h LYS 8 CO 0.01 0.06 0.44 0.77 -0.57 0.00 0.00 179.45 180.16 1xz2 h SER 9 N 0.10 0.84 -0.50 0.86 0.02 -1.27 -1.68 113.55 111.92 1xz2 h SER 9 Ca 0.22 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1xz2 h SER 9 Cb 0.33 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1xz2 h SER 9 CO -0.38 0.64 0.17 0.00 -1.14 0.00 0.00 176.83 176.12 1xz2 h ALA 10 N 1.23 0.65 0.15 3.77 0.00 -0.61 -1.02 119.26 123.44 1xz2 h ALA 10 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xz2 h ALA 10 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xz2 h ALA 10 CO -0.05 0.30 -0.07 0.28 0.00 0.00 0.00 179.25 179.70 1xz2 h VAL 11 N 0.67 0.92 -0.58 0.00 2.07 -0.87 -2.20 116.25 116.26 1xz2 h VAL 11 Ca 0.16 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1xz2 h VAL 11 Cb 0.26 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1xz2 h VAL 11 CO -0.01 0.07 0.37 0.74 0.02 0.00 0.00 177.57 178.77 1xz2 h THR 12 N -0.35 1.11 -0.38 2.57 2.02 -1.28 -1.73 112.91 114.87 1xz2 h THR 12 Ca -0.02 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1xz2 h THR 12 Cb 0.27 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1xz2 h THR 12 CO 0.03 0.14 0.10 0.00 0.37 0.00 0.00 175.52 176.16 1xz2 h ALA 13 N 1.23 0.49 -0.57 6.16 0.00 -1.09 -1.69 119.26 123.79 1xz2 h ALA 13 Ca 0.22 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xz2 h ALA 13 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xz2 h ALA 13 CO -0.07 0.15 -0.07 1.25 0.00 0.00 0.00 179.25 180.51 1xz2 h LEU 14 N 0.46 1.05 -1.37 0.00 5.85 -1.31 -2.99 115.31 116.99 1xz2 h LEU 14 Ca 0.12 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1xz2 h LEU 14 Cb 0.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1xz2 h LEU 14 CO -0.00 1.14 -0.30 -0.25 -0.34 0.00 0.00 178.44 178.68 1xz2 h TRP 15 N 0.94 0.00 -0.01 1.25 2.91 -1.05 -1.36 115.95 118.64 1xz2 h TRP 15 Ca 0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1xz2 h TRP 15 Cb 0.64 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1xz2 h TRP 15 CO 0.04 0.30 0.02 0.78 -1.03 0.00 0.00 178.44 178.56 1xz2 h GLY 16 N 1.19 0.00 -1.06 2.65 0.00 -1.16 -1.79 103.07 102.90 1xz2 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xz2 h GLY 16 CO 0.04 0.00 -0.39 0.28 0.00 0.00 0.00 176.54 176.47 1xz2 n LYS 17 N -3.25 1.36 -2.83 4.80 5.02 -0.52 -4.95 118.16 117.80 1xz2 n LYS 17 Ca -0.03 -1.11 -0.41 0.00 -2.02 0.00 0.00 58.31 54.74 1xz2 n LYS 17 Cb 0.09 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1xz2 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xz2 s VAL 18 N -2.41 4.83 -0.55 -0.18 1.01 -0.68 -5.00 120.40 117.42 1xz2 s VAL 18 Ca 0.20 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.85 1xz2 s VAL 18 Cb 0.18 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.40 1xz2 s VAL 18 CO 0.53 0.24 0.72 0.21 0.00 0.00 0.00 175.10 176.80 1xz2 s ASN 19 N 0.64 6.23 0.22 3.32 3.84 -1.26 -4.94 114.94 122.98 1xz2 s ASN 19 Ca 0.46 -0.94 -0.08 0.00 0.21 0.00 0.00 52.86 52.50 1xz2 s ASN 19 Cb -0.21 -2.33 0.31 0.00 -0.55 0.00 0.00 41.25 38.47 1xz2 s ASN 19 CO 0.25 -1.05 1.76 0.58 -2.79 0.00 0.00 177.10 175.86 1xz2 h VAL 20 N 5.91 0.80 -0.38 -5.21 2.07 -1.95 0.11 116.25 117.60 1xz2 h VAL 20 Ca -0.28 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1xz2 h VAL 20 Cb 1.09 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1xz2 h VAL 20 CO 1.03 0.09 0.01 0.44 0.02 0.00 0.00 177.57 179.16 1xz2 h ASP 21 N 0.49 -0.14 -0.01 0.57 5.19 -1.92 0.42 116.42 121.03 1xz2 h ASP 21 Ca 0.33 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1xz2 h ASP 21 Cb 0.38 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1xz2 h ASP 21 CO -0.29 -0.03 -0.02 -0.08 -3.12 0.00 0.00 179.24 175.70 1xz2 h GLU 22 N 0.11 0.02 -0.62 3.56 4.81 -1.82 -2.86 114.58 117.78 1xz2 h GLU 22 Ca 0.19 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1xz2 h GLU 22 Cb 0.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1xz2 h GLU 22 CO -0.31 0.62 0.10 0.28 -0.73 0.00 0.00 179.01 178.97 1xz2 h VAL 23 N -0.57 1.25 -0.24 0.32 2.07 -0.89 -2.00 116.25 116.19 1xz2 h VAL 23 Ca -0.00 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1xz2 h VAL 23 Cb 0.62 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1xz2 h VAL 23 CO 0.00 0.37 0.14 1.23 0.02 0.00 0.00 177.57 179.33 1xz2 h GLY 24 N 1.03 0.36 1.33 2.17 0.00 -0.22 -1.03 103.07 106.71 1xz2 h GLY 24 Ca 0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1xz2 h GLY 24 CO 0.01 0.15 0.07 -1.33 0.00 0.00 0.00 176.54 175.44 1xz2 h GLY 25 N 0.29 0.89 0.89 4.60 0.00 -1.33 -1.90 103.07 106.51 1xz2 h GLY 25 Ca 0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1xz2 h GLY 25 CO -0.01 0.52 -0.07 0.83 0.00 0.00 0.00 176.54 177.80 1xz2 h GLU 26 N 0.79 0.58 -0.13 4.80 4.39 -1.09 -1.02 114.58 122.90 1xz2 h GLU 26 Ca 0.16 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1xz2 h GLU 26 Cb 0.38 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xz2 h GLU 26 CO 0.01 0.77 -0.01 0.00 -1.16 0.00 0.00 179.01 178.62 1xz2 h ALA 27 N 0.79 0.17 -0.56 3.43 0.00 -1.10 0.43 119.26 122.42 1xz2 h ALA 27 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1xz2 h ALA 27 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xz2 h ALA 27 CO 0.03 -0.12 0.19 1.25 0.00 0.00 0.00 179.25 180.60 1xz2 h LEU 28 N -0.05 0.80 -0.21 0.00 5.85 -1.41 -0.91 115.31 119.38 1xz2 h LEU 28 Ca 0.03 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1xz2 h LEU 28 Cb 0.38 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1xz2 h LEU 28 CO 0.01 0.78 0.12 1.23 -0.34 0.00 0.00 178.44 180.24 1xz2 h GLY 29 N 0.78 0.29 1.31 3.75 0.00 -1.04 -2.31 103.07 105.85 1xz2 h GLY 29 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1xz2 h GLY 29 CO -0.01 0.08 0.24 3.21 0.00 0.00 0.00 176.54 180.07 1xz2 h ARG 30 N 0.25 0.89 -0.44 4.80 3.08 -0.78 -1.66 114.38 120.53 1xz2 h ARG 30 Ca 0.08 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1xz2 h ARG 30 Cb -0.00 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 1xz2 h ARG 30 CO -0.04 0.73 0.11 1.25 -1.07 0.00 0.00 179.97 180.95 1xz2 h LEU 31 N 0.88 0.05 -1.22 3.04 5.85 -0.81 0.15 115.31 123.24 1xz2 h LEU 31 Ca 0.21 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1xz2 h LEU 31 Cb 0.17 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1xz2 h LEU 31 CO -0.02 0.06 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.80 1xz2 h LEU 32 N 0.25 0.00 0.05 2.25 4.07 -0.82 -0.89 115.31 120.22 1xz2 h LEU 32 Ca 0.21 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.95 1xz2 h LEU 32 Cb 0.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1xz2 h LEU 32 CO -0.26 0.28 -1.17 0.58 -1.08 0.00 0.00 178.44 176.79 1xz2 h VAL 33 N 0.00 1.07 -0.09 1.22 2.07 -0.86 -3.32 116.25 116.34 1xz2 h VAL 33 Ca -0.00 -2.29 -0.18 0.00 0.82 0.00 0.00 66.70 65.04 1xz2 h VAL 33 Cb 0.71 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1xz2 h VAL 33 CO 0.04 0.54 -0.71 0.58 0.02 0.00 0.00 177.57 178.04 1xz2 h VAL 34 N -0.68 1.37 -2.72 2.57 2.07 -0.67 -3.36 116.25 114.83 1xz2 h VAL 34 Ca -0.29 -2.09 -0.61 0.00 0.82 0.00 0.00 66.70 64.54 1xz2 h VAL 34 Cb 1.47 2.07 -0.41 0.00 -1.52 0.00 0.00 31.29 32.90 1xz2 h VAL 34 CO -0.06 0.63 -0.71 -1.22 0.02 0.00 0.00 177.57 176.23 1xz2 n TYR 35 N -3.86 2.08 0.33 1.57 4.01 -0.34 -4.99 117.16 115.97 1xz2 n TYR 35 Ca -0.04 -4.00 0.22 0.00 -0.16 0.00 0.00 57.90 53.91 1xz2 n TYR 35 Cb 0.69 -0.38 1.17 0.00 -0.31 0.00 0.00 39.34 40.51 1xz2 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xz2 h PRO 36 N 5.19 0.00 0.00 -0.72 0.11 -1.72 -1.13 132.00 133.72 1xz2 h PRO 36 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xz2 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1xz2 h PRO 36 CO 0.64 0.00 -0.00 0.11 -0.21 0.00 0.00 178.00 178.53 1xz2 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.83 115.95 112.94 1xz2 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1xz2 h TRP 37 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.28 1xz2 h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1xz2 n THR 38 N -3.11 0.89 0.26 0.12 -2.24 -0.43 -2.30 114.28 107.48 1xz2 n THR 38 Ca -0.01 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.11 1xz2 n THR 38 Cb 0.18 -1.12 0.50 0.00 -2.10 0.00 0.00 70.33 67.79 1xz2 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xz2 n GLN 39 N -1.99 0.15 0.16 -0.78 6.02 -0.69 -3.40 117.38 116.85 1xz2 n GLN 39 Ca 0.03 0.53 0.17 0.00 -0.01 0.00 0.00 57.00 57.71 1xz2 n GLN 39 Cb 0.21 -1.87 0.78 0.00 1.02 0.00 0.00 30.24 30.38 1xz2 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1xz2 h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.68 -0.23 114.38 111.49 1xz2 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xz2 h ARG 40 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1xz2 h ARG 40 CO 0.00 0.00 -0.19 1.19 0.10 0.00 0.00 179.97 181.07 1xz2 n PHE 41 N -3.93 0.00 -2.33 4.08 3.01 -1.22 -4.41 117.46 112.65 1xz2 n PHE 41 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1xz2 n PHE 41 Cb 0.39 -0.17 0.05 0.00 -0.01 0.00 0.00 39.48 39.74 1xz2 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xz2 n PHE 42 N -0.86 1.63 -0.02 1.38 3.01 -0.10 -4.82 117.46 117.68 1xz2 n PHE 42 Ca 0.13 -1.95 0.02 0.00 1.01 0.00 0.00 57.45 56.66 1xz2 n PHE 42 Cb 0.31 -0.27 0.35 0.00 -0.01 0.00 0.00 39.48 39.87 1xz2 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xz2 h GLU 43 N 2.10 0.58 0.00 -1.08 5.08 -1.77 -1.68 114.58 117.81 1xz2 h GLU 43 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xz2 h GLU 43 Cb 1.41 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1xz2 h GLU 43 CO 0.39 0.47 0.00 -1.13 -1.00 0.00 0.00 179.01 177.74 1xz2 n SER 44 N -4.39 0.00 0.24 1.42 3.41 -1.26 -2.85 113.62 110.19 1xz2 n SER 44 Ca 0.03 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 59.09 1xz2 n SER 44 Cb 0.13 -0.41 0.42 0.00 -0.26 0.00 0.00 64.21 64.09 1xz2 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1xz2 h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.69 -3.50 116.94 119.13 1xz2 h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1xz2 h PHE 45 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.21 1xz2 h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1xz2 n GLY 46 N 0.59 0.21 3.66 -1.45 0.00 -1.13 -4.85 105.19 102.22 1xz2 n GLY 46 Ca 0.02 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1xz2 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xz2 s ASP 47 N -4.00 7.09 -0.15 1.61 -1.08 -1.26 -4.89 116.67 113.98 1xz2 s ASP 47 Ca 0.00 1.36 0.17 0.00 -0.52 0.00 0.00 52.55 53.55 1xz2 s ASP 47 Cb 0.00 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.26 1xz2 s ASP 47 CO 0.00 -0.62 1.17 0.18 0.52 0.00 0.00 175.17 176.43 1xz2 n LEU 48 N 6.09 2.48 0.11 -1.34 4.77 -1.26 -4.50 117.00 123.34 1xz2 n LEU 48 Ca 0.11 -3.31 0.13 0.00 -0.03 0.00 0.00 56.01 52.90 1xz2 n LEU 48 Cb 0.47 -0.46 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 1xz2 n LEU 48 CO 0.51 0.90 0.88 -1.54 -1.33 0.00 0.00 177.39 176.82 1xz2 n SER 49 N -1.34 0.74 -4.16 -1.43 3.41 -1.26 -4.74 113.62 104.84 1xz2 n SER 49 Ca 0.17 0.60 -0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1xz2 n SER 49 Cb 0.66 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 1xz2 n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xz2 s THR 50 N -3.16 0.89 0.21 6.66 -4.23 -1.26 -5.05 115.64 109.70 1xz2 s THR 50 Ca 0.09 -1.57 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 1xz2 s THR 50 Cb 0.12 -1.27 0.14 0.00 1.34 0.00 0.00 72.50 72.83 1xz2 s THR 50 CO 0.53 -0.53 1.76 -0.65 -0.54 0.00 0.00 174.62 175.19 1xz2 h PRO 51 N 3.69 0.45 -0.73 3.99 0.11 -1.97 -0.91 132.00 136.63 1xz2 h PRO 51 Ca -0.37 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1xz2 h PRO 51 Cb 1.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1xz2 h PRO 51 CO 0.51 0.30 0.34 -0.44 -0.21 0.00 0.00 178.00 178.50 1xz2 h ASP 52 N 0.46 0.96 0.23 -2.05 3.32 -1.98 -1.03 116.42 116.34 1xz2 h ASP 52 Ca 0.30 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1xz2 h ASP 52 Cb 0.34 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xz2 h ASP 52 CO -0.27 0.83 -0.15 0.00 -1.72 0.00 0.00 179.24 177.93 1xz2 h ALA 53 N 1.17 -0.35 -0.02 3.45 0.00 -1.68 -2.61 119.26 119.22 1xz2 h ALA 53 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1xz2 h ALA 53 Cb 0.14 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1xz2 h ALA 53 CO -0.03 -0.71 -0.24 0.28 0.00 0.00 0.00 179.25 178.55 1xz2 h VAL 54 N -0.37 0.44 0.00 0.00 2.07 -0.92 -2.36 116.25 115.11 1xz2 h VAL 54 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xz2 h VAL 54 Cb 0.31 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xz2 h VAL 54 CO 0.02 0.00 -0.13 0.24 0.02 0.00 0.00 177.57 177.71 1xz2 h MET 55 N -0.37 0.00 -0.17 1.57 2.07 -1.16 -2.53 114.93 114.34 1xz2 h MET 55 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1xz2 h MET 55 Cb 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 1xz2 h MET 55 CO -0.23 0.13 0.00 0.41 1.07 0.00 0.00 176.91 178.30 1xz2 n GLY 56 N -0.65 1.24 3.68 8.32 0.00 -0.99 -4.90 105.19 111.89 1xz2 n GLY 56 Ca -0.02 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1xz2 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xz2 s ASN 57 N -1.80 6.84 0.36 1.61 3.84 -0.91 -4.91 114.94 119.97 1xz2 s ASN 57 Ca 0.33 2.07 0.08 0.00 0.21 0.00 0.00 52.86 55.54 1xz2 s ASN 57 Cb 0.21 -2.55 0.67 0.00 -0.55 0.00 0.00 41.25 39.03 1xz2 s ASN 57 CO 0.31 -0.75 1.86 -0.65 -2.79 0.00 0.00 177.10 175.07 1xz2 h PRO 58 N 8.13 0.29 -0.04 0.43 0.11 -1.92 -1.96 132.00 137.05 1xz2 h PRO 58 Ca -0.36 -0.08 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 1xz2 h PRO 58 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xz2 h PRO 58 CO 0.92 0.46 -0.64 0.87 -0.21 0.00 0.00 178.00 179.40 1xz2 h LYS 59 N 0.27 0.14 -0.11 1.05 1.57 -1.91 -0.76 116.57 116.82 1xz2 h LYS 59 Ca 0.05 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1xz2 h LYS 59 Cb 0.47 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xz2 h LYS 59 CO 0.03 0.73 -0.01 0.28 -0.57 0.00 0.00 179.45 179.91 1xz2 h VAL 60 N 0.10 1.26 -0.22 0.50 2.07 -1.81 -1.72 116.25 116.43 1xz2 h VAL 60 Ca -0.01 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1xz2 h VAL 60 Cb 1.15 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 1xz2 h VAL 60 CO 0.09 0.24 -0.09 0.11 0.02 0.00 0.00 177.57 177.95 1xz2 h LYS 61 N -0.10 -0.05 -0.72 1.57 1.57 -1.16 0.18 116.57 117.87 1xz2 h LYS 61 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1xz2 h LYS 61 Cb 0.38 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1xz2 h LYS 61 CO 0.01 -0.03 0.41 0.00 -0.57 0.00 0.00 179.45 179.26 1xz2 h ALA 62 N 1.15 0.92 -0.13 3.86 0.00 -1.16 -1.95 119.26 121.96 1xz2 h ALA 62 Ca 0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1xz2 h ALA 62 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xz2 h ALA 62 CO -0.26 0.42 -0.58 1.25 0.00 0.00 0.00 179.25 180.09 1xz2 h HIS 63 N 0.99 0.53 -0.92 0.00 -0.00 -0.95 -2.24 115.15 112.56 1xz2 h HIS 63 Ca 0.25 -0.20 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 1xz2 h HIS 63 Cb 0.02 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.27 1xz2 h HIS 63 CO -0.00 0.90 0.60 0.78 -0.00 0.00 0.00 177.93 180.20 1xz2 h GLY 64 N 1.22 1.36 0.97 5.26 0.00 -0.67 -0.66 103.07 110.55 1xz2 h GLY 64 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1xz2 h GLY 64 CO 0.10 0.29 0.03 0.50 0.00 0.00 0.00 176.54 177.46 1xz2 h LYS 65 N 1.03 0.77 0.11 4.80 1.57 -0.79 -1.99 116.57 122.06 1xz2 h LYS 65 Ca 0.40 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1xz2 h LYS 65 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1xz2 h LYS 65 CO -0.16 0.82 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.26 1xz2 h LYS 66 N 0.62 -0.14 0.47 3.15 3.64 -0.91 -0.53 116.57 122.87 1xz2 h LYS 66 Ca 0.13 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1xz2 h LYS 66 Cb 0.45 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1xz2 h LYS 66 CO 0.02 0.00 -0.29 0.28 -2.27 0.00 0.00 179.45 177.19 1xz2 h VAL 67 N -0.26 0.40 0.00 2.00 2.07 -1.14 -2.45 116.25 116.87 1xz2 h VAL 67 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xz2 h VAL 67 Cb 0.21 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1xz2 h VAL 67 CO 0.02 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 177.71 1xz2 h LEU 68 N -0.72 0.00 -0.50 2.57 5.85 -1.37 -1.81 115.31 119.32 1xz2 h LEU 68 Ca -0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1xz2 h LEU 68 Cb 0.59 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1xz2 h LEU 68 CO 0.05 0.16 -0.01 1.23 -0.34 0.00 0.00 178.44 179.53 1xz2 h GLY 69 N 0.95 0.97 1.05 3.75 0.00 -0.82 -0.29 103.07 108.69 1xz2 h GLY 69 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 1xz2 h GLY 69 CO 0.02 0.66 0.01 0.00 0.00 0.00 0.00 176.54 177.23 1xz2 h ALA 70 N 0.93 0.76 -0.50 3.60 0.00 -0.98 -2.23 119.26 120.84 1xz2 h ALA 70 Ca 0.14 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xz2 h ALA 70 Cb 0.53 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xz2 h ALA 70 CO 0.03 0.58 0.26 0.35 0.00 0.00 0.00 179.25 180.47 1xz2 h PHE 71 N 0.88 0.49 -0.52 0.00 3.57 -1.21 -2.22 116.94 117.93 1xz2 h PHE 71 Ca 0.16 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1xz2 h PHE 71 Cb 0.53 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 1xz2 h PHE 71 CO 0.04 0.25 0.21 1.03 -2.23 0.00 0.00 178.31 177.61 1xz2 h SER 72 N 0.52 0.24 -0.65 0.41 0.87 -0.71 -1.57 113.55 112.66 1xz2 h SER 72 Ca 0.22 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1xz2 h SER 72 Cb 0.11 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1xz2 h SER 72 CO -0.14 0.17 0.43 0.44 -0.53 0.00 0.00 176.83 177.19 1xz2 h ASP 73 N 0.41 0.73 0.28 6.23 3.32 -1.03 -1.37 116.42 124.99 1xz2 h ASP 73 Ca 0.25 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1xz2 h ASP 73 Cb 0.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1xz2 h ASP 73 CO -0.23 0.52 -0.21 1.23 -1.72 0.00 0.00 179.24 178.83 1xz2 h GLY 74 N 0.86 0.00 2.00 2.75 0.00 -0.69 -2.57 103.07 105.42 1xz2 h GLY 74 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1xz2 h GLY 74 CO -0.06 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.89 1xz2 h LEU 75 N 0.00 0.00 -0.53 3.11 3.38 -0.96 -0.97 115.31 119.34 1xz2 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xz2 h LEU 75 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xz2 h LEU 75 CO 0.03 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.30 1xz2 n ALA 76 N -1.88 3.08 -2.56 1.53 0.00 -0.97 -4.18 120.51 115.54 1xz2 n ALA 76 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1xz2 n ALA 76 Cb 0.17 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.53 1xz2 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz2 n HIS 77 N -0.59 1.94 0.31 0.00 8.25 -0.37 -4.89 115.22 119.87 1xz2 n HIS 77 Ca 0.12 -2.56 0.19 0.00 -0.26 0.00 0.00 57.72 55.22 1xz2 n HIS 77 Cb 0.35 -0.27 1.05 0.00 1.12 0.00 0.00 29.99 32.25 1xz2 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xz2 h LEU 78 N 2.64 0.00 -0.05 2.41 3.38 -1.71 -1.12 115.31 120.87 1xz2 h LEU 78 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xz2 h LEU 78 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1xz2 h LEU 78 CO 0.53 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 179.46 1xz2 n ASP 79 N -3.43 0.14 -2.94 -0.43 10.43 -1.26 -2.15 116.55 116.92 1xz2 n ASP 79 Ca -0.03 -0.06 -0.13 0.00 2.57 0.00 0.00 54.79 57.14 1xz2 n ASP 79 Cb 0.11 -0.26 0.03 0.00 1.84 0.00 0.00 41.12 42.85 1xz2 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xz2 n ASN 80 N -1.29 -1.01 -0.14 -2.24 5.15 -0.43 -4.81 115.26 110.48 1xz2 n ASN 80 Ca 0.11 -3.34 -0.07 0.00 -0.60 0.00 0.00 54.58 50.68 1xz2 n ASN 80 Cb 0.29 0.78 0.08 0.00 -0.53 0.00 0.00 39.78 40.40 1xz2 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xz2 h LEU 81 N 3.14 0.89 -0.28 1.20 3.38 -1.72 -2.40 115.31 119.52 1xz2 h LEU 81 Ca -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xz2 h LEU 81 Cb 1.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1xz2 h LEU 81 CO 0.31 0.99 0.18 0.11 0.09 0.00 0.00 178.44 180.12 1xz2 h LYS 82 N 0.82 0.38 -0.37 1.13 1.57 -1.91 -1.22 116.57 116.97 1xz2 h LYS 82 Ca 0.14 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1xz2 h LYS 82 Cb 0.58 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1xz2 h LYS 82 CO 0.04 0.29 -0.35 0.78 -0.57 0.00 0.00 179.45 179.64 1xz2 h GLY 83 N 0.37 0.92 1.11 3.86 0.00 -1.95 -1.59 103.07 105.79 1xz2 h GLY 83 Ca 0.10 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1xz2 h GLY 83 CO -0.02 0.81 0.43 -0.84 0.00 0.00 0.00 176.54 176.92 1xz2 h THR 84 N 0.70 1.25 -0.53 4.70 2.02 -1.23 -2.99 112.91 116.82 1xz2 h THR 84 Ca 0.07 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1xz2 h THR 84 Cb 0.91 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1xz2 h THR 84 CO 0.08 0.28 0.00 0.49 0.37 0.00 0.00 175.52 176.75 1xz2 n PHE 85 N -4.33 0.70 0.03 3.16 3.01 -0.48 -4.65 117.46 114.90 1xz2 n PHE 85 Ca 0.08 -0.40 -0.11 0.00 1.01 0.00 0.00 57.45 58.04 1xz2 n PHE 85 Cb 0.11 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 1xz2 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xz2 h ALA 86 N 3.89 -0.04 -0.77 4.37 0.00 -1.13 0.13 119.26 125.72 1xz2 h ALA 86 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xz2 h ALA 86 Cb 0.93 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xz2 h ALA 86 CO 0.00 -0.55 0.26 1.15 0.00 0.00 0.00 179.25 180.11 1xz2 h THR 87 N -0.11 1.26 -0.27 0.00 2.02 -1.82 -1.75 112.91 112.24 1xz2 h THR 87 Ca 0.05 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 1xz2 h THR 87 Cb 0.18 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1xz2 h THR 87 CO -0.12 0.36 -0.18 -0.07 0.37 0.00 0.00 175.52 175.88 1xz2 h LEU 88 N 1.14 0.47 -0.22 2.58 3.38 -1.78 -1.25 115.31 119.63 1xz2 h LEU 88 Ca 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xz2 h LEU 88 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xz2 h LEU 88 CO -0.01 0.67 0.10 -1.28 0.09 0.00 0.00 178.44 178.00 1xz2 h SER 89 N 0.43 0.29 -0.62 -0.43 0.87 -0.28 -1.00 113.55 112.82 1xz2 h SER 89 Ca 0.07 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1xz2 h SER 89 Cb 0.57 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1xz2 h SER 89 CO 0.04 0.36 0.32 -0.33 -0.53 0.00 0.00 176.83 176.68 1xz2 h GLU 90 N 0.21 0.89 -0.20 2.24 5.08 -1.12 -1.39 114.58 120.30 1xz2 h GLU 90 Ca 0.07 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xz2 h GLU 90 Cb 0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1xz2 h GLU 90 CO -0.01 0.69 0.07 1.25 -1.00 0.00 0.00 179.01 180.01 1xz2 h LEU 91 N 0.85 0.07 -1.19 1.33 5.85 -1.14 0.15 115.31 121.24 1xz2 h LEU 91 Ca 0.22 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1xz2 h LEU 91 Cb 0.08 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1xz2 h LEU 91 CO -0.03 0.07 -0.06 0.45 -0.34 0.00 0.00 178.44 178.53 1xz2 h HIS 92 N 0.16 0.51 0.08 1.25 3.86 -0.82 -0.78 115.15 119.40 1xz2 h HIS 92 Ca 0.08 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xz2 h HIS 92 Cb 0.05 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1xz2 h HIS 92 CO -0.12 0.55 -0.04 0.00 0.86 0.00 0.00 177.93 179.18 1xz2 h ASP 94 N -0.99 0.32 0.00 0.00 3.32 -0.74 -3.24 116.42 115.10 1xz2 h ASP 94 Ca -0.01 -0.35 -0.39 0.00 0.02 0.00 0.00 57.03 56.30 1xz2 h ASP 94 Cb 0.39 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1xz2 h ASP 94 CO 0.02 1.27 -2.38 0.29 -1.72 0.00 0.00 179.24 176.73 1xz2 n LYS 95 N -3.49 0.56 0.07 3.56 4.76 -0.40 -4.71 118.16 118.51 1xz2 n LYS 95 Ca -0.07 0.19 0.08 0.00 -2.87 0.00 0.00 58.31 55.65 1xz2 n LYS 95 Cb 1.01 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.73 1xz2 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xz2 n LEU 96 N -3.72 0.73 -3.62 -0.35 4.77 -0.59 -4.99 117.00 109.22 1xz2 n LEU 96 Ca -0.46 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 55.61 1xz2 n LEU 96 Cb 0.89 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.02 1xz2 n LEU 96 CO 0.12 -0.07 -0.02 1.41 -1.33 0.00 0.00 177.39 177.50 1xz2 n HIS 97 N -2.67 -1.99 -3.42 -1.77 8.25 -0.09 -4.95 115.22 108.57 1xz2 n HIS 97 Ca -0.03 0.87 -0.40 0.00 -0.26 0.00 0.00 57.72 57.89 1xz2 n HIS 97 Cb 0.63 -4.58 -0.09 0.00 1.12 0.00 0.00 29.99 27.07 1xz2 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xz2 s VAL 98 N -3.58 5.18 0.06 1.59 1.01 -0.69 -5.04 120.40 118.93 1xz2 s VAL 98 Ca 0.01 0.21 -0.32 0.00 0.00 0.00 0.00 61.98 61.87 1xz2 s VAL 98 Cb -0.00 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1xz2 s VAL 98 CO 0.79 0.01 1.82 -0.67 0.00 0.00 0.00 175.10 177.05 1xz2 n ASP 99 N 5.34 3.70 0.28 3.32 4.64 -1.26 -4.76 116.55 127.81 1xz2 n ASP 99 Ca -0.09 0.99 0.18 0.00 -1.38 0.00 0.00 54.79 54.48 1xz2 n ASP 99 Cb 0.50 -1.47 0.95 0.00 -1.04 0.00 0.00 41.12 40.06 1xz2 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xz2 h PRO 100 N 8.50 0.00 -0.42 -0.67 0.11 -1.97 -1.65 132.00 135.89 1xz2 h PRO 100 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1xz2 h PRO 100 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1xz2 h PRO 100 CO 0.94 0.00 0.29 1.49 -0.21 0.00 0.00 178.00 180.51 1xz2 h GLU 101 N 0.00 0.14 -0.49 1.05 4.57 -1.99 -0.71 114.58 117.15 1xz2 h GLU 101 Ca 0.00 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1xz2 h GLU 101 Cb 0.13 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1xz2 h GLU 101 CO 0.00 0.09 0.33 -0.91 -1.18 0.00 0.00 179.01 177.34 1xz2 h ASN 102 N 0.15 0.34 -0.19 1.04 2.35 -1.67 -1.10 115.58 116.49 1xz2 h ASN 102 Ca 0.20 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 1xz2 h ASN 102 Cb 0.59 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1xz2 h ASN 102 CO -0.03 0.22 -0.33 -0.26 -1.65 0.00 0.00 177.43 175.39 1xz2 h PHE 103 N 0.39 0.82 -0.52 1.19 0.04 -1.32 -1.22 116.94 116.32 1xz2 h PHE 103 Ca 0.22 -0.22 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1xz2 h PHE 103 Cb 0.36 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1xz2 h PHE 103 CO -0.00 0.94 -0.09 0.00 -0.60 0.00 0.00 178.31 178.56 1xz2 h ARG 104 N 0.59 0.98 -0.47 1.51 3.08 -1.22 -2.11 114.38 116.75 1xz2 h ARG 104 Ca 0.06 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1xz2 h ARG 104 Cb 0.85 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1xz2 h ARG 104 CO 0.07 1.03 0.04 -0.07 -1.07 0.00 0.00 179.97 179.98 1xz2 h LEU 105 N 0.85 0.77 -0.93 3.04 3.38 -1.22 -2.31 115.31 118.90 1xz2 h LEU 105 Ca 0.14 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1xz2 h LEU 105 Cb 0.65 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1xz2 h LEU 105 CO 0.05 0.86 -0.10 0.25 0.09 0.00 0.00 178.44 179.59 1xz2 h LEU 106 N 0.66 0.66 -0.46 1.67 5.85 -1.18 -2.10 115.31 120.41 1xz2 h LEU 106 Ca 0.14 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1xz2 h LEU 106 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1xz2 h LEU 106 CO 0.02 0.80 0.26 1.23 -0.34 0.00 0.00 178.44 180.40 1xz2 h GLY 107 N 0.96 0.64 1.53 3.75 0.00 -0.99 0.52 103.07 109.49 1xz2 h GLY 107 Ca 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1xz2 h GLY 107 CO 0.03 0.16 -0.43 3.43 0.00 0.00 0.00 176.54 179.73 1xz2 h ASN 108 N 0.52 0.54 -0.62 0.19 2.35 -1.06 -1.87 115.58 115.64 1xz2 h ASN 108 Ca 0.19 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1xz2 h ASN 108 Cb 0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1xz2 h ASN 108 CO -0.09 0.91 0.10 0.58 -1.65 0.00 0.00 177.43 177.27 1xz2 h VAL 109 N 0.42 1.26 -0.89 2.81 2.07 -1.16 -2.15 116.25 118.61 1xz2 h VAL 109 Ca 0.03 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1xz2 h VAL 109 Cb 0.93 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1xz2 h VAL 109 CO 0.08 0.37 0.53 0.25 0.02 0.00 0.00 177.57 178.83 1xz2 h LEU 110 N 0.93 1.07 -0.39 2.57 5.85 -0.57 0.08 115.31 124.84 1xz2 h LEU 110 Ca 0.19 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xz2 h LEU 110 Cb 0.43 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1xz2 h LEU 110 CO 0.01 0.82 0.21 0.58 -0.34 0.00 0.00 178.44 179.73 1xz2 h VAL 111 N 1.23 1.15 -0.47 1.05 2.07 -1.04 -1.58 116.25 118.65 1xz2 h VAL 111 Ca 0.32 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1xz2 h VAL 111 Cb -0.05 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xz2 h VAL 111 CO -0.06 0.15 0.18 0.00 0.02 0.00 0.00 177.57 177.86 1xz2 h VAL 113 N 0.66 1.27 -0.61 0.00 2.07 -0.64 -1.02 116.25 117.97 1xz2 h VAL 113 Ca 0.16 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 1xz2 h VAL 113 Cb 0.15 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1xz2 h VAL 113 CO -0.01 0.49 0.02 -0.07 0.02 0.00 0.00 177.57 178.01 1xz2 h LEU 114 N 0.83 1.05 -0.43 2.57 3.38 -1.06 -0.62 115.31 121.03 1xz2 h LEU 114 Ca 0.10 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1xz2 h LEU 114 Cb 0.83 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xz2 h LEU 114 CO 0.07 1.09 0.12 0.00 0.09 0.00 0.00 178.44 179.82 1xz2 h ALA 115 N 1.00 0.57 -0.55 1.53 0.00 -1.21 -0.90 119.26 119.68 1xz2 h ALA 115 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xz2 h ALA 115 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xz2 h ALA 115 CO 0.03 0.23 0.32 1.25 0.00 0.00 0.00 179.25 181.09 1xz2 h HIS 116 N 0.56 0.74 -0.19 0.00 -0.00 -0.95 -0.03 115.15 115.28 1xz2 h HIS 116 Ca 0.14 -0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.33 1xz2 h HIS 116 Cb 0.29 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1xz2 h HIS 116 CO 0.02 0.52 -0.54 1.25 -0.00 0.00 0.00 177.93 179.18 1xz2 h HIS 117 N 0.74 0.90 0.00 5.26 6.17 -0.98 -3.35 115.15 123.90 1xz2 h HIS 117 Ca 0.20 -0.36 0.00 0.00 0.71 0.00 0.00 60.37 60.92 1xz2 h HIS 117 Cb 0.00 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 29.78 1xz2 h HIS 117 CO -0.02 1.15 -0.96 1.19 0.71 0.00 0.00 177.93 180.00 1xz2 n PHE 118 N -4.12 0.02 -1.42 5.26 3.01 -0.36 -5.05 117.46 114.80 1xz2 n PHE 118 Ca -0.06 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1xz2 n PHE 118 Cb 0.62 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1xz2 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xz2 n GLY 119 N 1.47 3.23 0.32 1.37 0.00 -0.03 -2.56 105.19 109.00 1xz2 n GLY 119 Ca 0.04 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.07 1xz2 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xz2 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.52 116.57 117.79 1xz2 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1xz2 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xz2 h LYS 120 CO 0.00 0.00 -0.06 1.49 -2.00 0.00 0.00 179.45 178.88 1xz2 h GLU 121 N 0.00 0.00 -3.73 0.07 4.81 -1.89 -3.30 114.58 110.53 1xz2 h GLU 121 Ca 0.01 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1xz2 h GLU 121 Cb 0.06 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.29 1xz2 h GLU 121 CO -0.00 0.06 1.94 0.34 -0.73 0.00 0.00 179.01 180.62 1xz2 n PHE 122 N -3.34 3.29 -1.50 0.92 7.35 -0.21 -4.93 117.46 119.04 1xz2 n PHE 122 Ca -0.01 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 1xz2 n PHE 122 Cb 0.22 -2.00 0.10 0.00 0.35 0.00 0.00 39.48 38.14 1xz2 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz2 s THR 123 N 0.66 3.04 0.20 -2.13 -4.23 -1.25 -4.71 115.64 107.22 1xz2 s THR 123 Ca 0.40 0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 61.10 1xz2 s THR 123 Cb 0.08 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 71.06 1xz2 s THR 123 CO 0.00 -0.44 1.63 -0.65 -0.54 0.00 0.00 174.62 174.62 1xz2 h PRO 124 N -1.14 -0.04 -0.30 3.99 0.11 -1.93 0.74 132.00 133.43 1xz2 h PRO 124 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1xz2 h PRO 124 Cb 1.27 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1xz2 h PRO 124 CO 0.58 -0.02 0.06 -1.35 -0.21 0.00 0.00 178.00 177.06 1xz2 h PRO 125 N -0.04 0.44 -0.25 1.05 0.11 -1.99 -1.28 132.00 130.03 1xz2 h PRO 125 Ca 0.27 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 1xz2 h PRO 125 Cb 0.45 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1xz2 h PRO 125 CO -0.61 0.42 -0.33 0.28 -0.21 0.00 0.00 178.00 177.56 1xz2 h VAL 126 N 0.43 1.31 -0.55 3.15 2.07 -1.54 -2.41 116.25 118.71 1xz2 h VAL 126 Ca 0.10 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.15 1xz2 h VAL 126 Cb 0.20 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1xz2 h VAL 126 CO -0.00 0.48 0.29 -0.61 0.02 0.00 0.00 177.57 177.75 1xz2 h GLN 127 N 0.38 0.55 -0.75 1.57 4.15 -0.69 -1.78 115.11 118.53 1xz2 h GLN 127 Ca 0.03 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1xz2 h GLN 127 Cb 0.91 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.43 1xz2 h GLN 127 CO 0.08 0.36 0.48 0.00 -1.93 0.00 0.00 178.83 177.82 1xz2 h ALA 128 N 1.29 0.98 -0.60 3.38 0.00 -1.09 0.17 119.26 123.39 1xz2 h ALA 128 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xz2 h ALA 128 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1xz2 h ALA 128 CO -0.16 0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.60 1xz2 h ALA 129 N 1.31 0.78 -0.10 0.00 0.00 -1.09 -2.31 119.26 117.85 1xz2 h ALA 129 Ca 0.30 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1xz2 h ALA 129 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xz2 h ALA 129 CO -0.11 0.40 -0.42 1.88 0.00 0.00 0.00 179.25 181.01 1xz2 h TYR 130 N 0.83 0.26 -0.53 0.00 0.05 -0.55 -2.23 116.97 114.80 1xz2 h TYR 130 Ca 0.20 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 1xz2 h TYR 130 Cb 0.22 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1xz2 h TYR 130 CO 0.01 0.61 0.11 1.96 -1.05 0.00 0.00 178.16 179.80 1xz2 h GLN 131 N 0.18 0.82 -0.62 4.88 1.08 -0.40 0.03 115.11 121.08 1xz2 h GLN 131 Ca 0.02 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 1xz2 h GLN 131 Cb 0.82 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1xz2 h GLN 131 CO 0.06 0.75 0.10 0.87 -0.95 0.00 0.00 178.83 179.67 1xz2 h LYS 132 N 0.78 1.03 -0.07 1.46 1.57 -1.11 -2.29 116.57 117.94 1xz2 h LYS 132 Ca 0.17 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1xz2 h LYS 132 Cb 0.32 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xz2 h LYS 132 CO 0.00 0.96 -0.01 0.28 -0.57 0.00 0.00 179.45 180.11 1xz2 h VAL 133 N 0.94 1.28 -0.09 0.50 2.07 -0.86 -1.47 116.25 118.62 1xz2 h VAL 133 Ca 0.19 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1xz2 h VAL 133 Cb 0.43 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1xz2 h VAL 133 CO 0.01 0.24 -0.26 -0.37 0.02 0.00 0.00 177.57 177.21 1xz2 h VAL 134 N -0.19 1.23 -0.39 2.57 -1.51 -1.01 -1.22 116.25 115.72 1xz2 h VAL 134 Ca 0.02 -1.07 -0.15 0.00 -1.23 0.00 0.00 66.70 64.28 1xz2 h VAL 134 Cb 0.39 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1xz2 h VAL 134 CO 0.01 0.32 -0.33 0.00 -1.23 0.00 0.00 177.57 176.33 1xz2 h ALA 135 N 1.59 0.56 -0.57 5.19 0.00 -1.36 -1.95 119.26 122.73 1xz2 h ALA 135 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1xz2 h ALA 135 Cb 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xz2 h ALA 135 CO 0.04 0.63 0.29 0.78 0.00 0.00 0.00 179.25 180.99 1xz2 h GLY 136 N 0.72 0.86 0.96 0.00 0.00 -0.63 -0.75 103.07 104.23 1xz2 h GLY 136 Ca 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1xz2 h GLY 136 CO 0.08 0.39 0.18 -2.08 0.00 0.00 0.00 176.54 175.12 1xz2 h VAL 137 N 0.77 1.21 -0.43 4.60 2.07 -1.24 -0.54 116.25 122.67 1xz2 h VAL 137 Ca 0.20 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1xz2 h VAL 137 Cb 0.08 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1xz2 h VAL 137 CO -0.03 0.24 0.28 0.00 0.02 0.00 0.00 177.57 178.09 1xz2 h ALA 138 N 1.03 0.55 -0.73 1.67 0.00 -1.18 -0.30 119.26 120.30 1xz2 h ALA 138 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xz2 h ALA 138 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xz2 h ALA 138 CO -0.01 -0.01 0.30 -0.91 0.00 0.00 0.00 179.25 178.62 1xz2 h ASN 139 N 0.57 1.00 -0.84 0.00 -0.26 -0.97 -1.55 115.58 113.53 1xz2 h ASN 139 Ca 0.16 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1xz2 h ASN 139 Cb -0.05 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 36.91 1xz2 h ASN 139 CO -0.04 0.89 0.55 0.00 -1.06 0.00 0.00 177.43 177.77 1xz2 h ALA 140 N 1.15 1.06 0.00 -0.83 0.00 -0.74 -1.45 119.26 118.44 1xz2 h ALA 140 Ca 0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1xz2 h ALA 140 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xz2 h ALA 140 CO -0.02 0.47 -0.38 -0.07 0.00 0.00 0.00 179.25 179.25 1xz2 h LEU 141 N 1.13 0.00 -0.01 0.00 3.38 -0.71 -2.83 115.31 116.27 1xz2 h LEU 141 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1xz2 h LEU 141 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xz2 h LEU 141 CO -0.07 0.38 -0.27 0.00 0.09 0.00 0.00 178.44 178.57 1xz2 n ALA 142 N -2.28 3.00 -0.02 1.53 0.00 -0.62 -4.38 120.51 117.75 1xz2 n ALA 142 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1xz2 n ALA 142 Cb 0.53 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.95 1xz2 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xz2 h HIS 143 N 0.02 0.61 -0.53 0.00 6.17 -1.02 -2.81 115.15 117.59 1xz2 h HIS 143 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1xz2 h HIS 143 Cb 0.50 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1xz2 h HIS 143 CO 0.00 0.63 0.00 1.63 0.71 0.00 0.00 177.93 180.90 1xz2 n LYS 144 N -4.22 2.86 -2.35 5.26 4.76 -1.26 -4.92 118.16 118.29 1xz2 n LYS 144 Ca 0.01 -2.18 -0.39 0.00 -2.87 0.00 0.00 58.31 52.88 1xz2 n LYS 144 Cb 0.30 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1xz2 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xz2 s TYR 145 N -1.58 3.24 0.00 2.13 2.02 -1.06 -4.73 117.35 117.36 1xz2 s TYR 145 Ca 0.40 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.68 1xz2 s TYR 145 Cb 0.24 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 1xz2 s TYR 145 CO 0.22 -1.09 0.00 -2.39 -1.57 0.00 0.00 175.55 170.71