#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz4 s HIS 2 N 0.00 3.23 0.07 3.52 2.46 -1.26 -4.68 115.29 118.63 1xz4 s HIS 2 Ca 0.00 0.57 0.06 0.00 0.47 0.00 0.00 55.06 56.16 1xz4 s HIS 2 Cb 0.00 -2.91 -0.04 0.00 -0.13 0.00 0.00 32.58 29.50 1xz4 s HIS 2 CO 0.00 -0.43 -0.11 -0.51 -2.47 0.00 0.00 174.74 171.22 1xz4 s LEU 3 N 2.51 2.99 0.74 8.88 1.43 -1.26 -5.10 118.68 128.86 1xz4 s LEU 3 Ca 0.24 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1xz4 s LEU 3 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1xz4 s LEU 3 CO 0.11 0.21 1.08 0.42 0.23 0.00 0.00 176.35 178.41 1xz4 s THR 4 N -1.12 3.55 0.25 5.49 -4.23 -1.26 -4.76 115.64 113.56 1xz4 s THR 4 Ca 0.19 0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1xz4 s THR 4 Cb -0.11 -3.33 0.22 0.00 1.34 0.00 0.00 72.50 70.62 1xz4 s THR 4 CO 0.11 -0.66 1.79 -0.65 -0.54 0.00 0.00 174.62 174.67 1xz4 h PRO 5 N -0.83 0.68 -0.03 3.99 0.11 -1.99 -0.07 132.00 133.86 1xz4 h PRO 5 Ca -0.45 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1xz4 h PRO 5 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xz4 h PRO 5 CO 0.60 0.45 -0.47 1.05 -0.21 0.00 0.00 178.00 179.42 1xz4 h GLU 6 N 0.70 0.08 -0.07 1.05 9.09 -1.99 -1.80 114.58 121.64 1xz4 h GLU 6 Ca 0.42 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.78 1xz4 h GLU 6 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1xz4 h GLU 6 CO -0.30 0.53 0.02 0.93 0.05 0.00 0.00 179.01 180.25 1xz4 h GLU 7 N 0.07 0.11 -0.81 1.06 5.08 -1.55 -1.11 114.58 117.43 1xz4 h GLU 7 Ca 0.00 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1xz4 h GLU 7 Cb 0.85 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1xz4 h GLU 7 CO 0.06 0.28 0.49 0.87 -1.00 0.00 0.00 179.01 179.71 1xz4 h LYS 8 N -0.08 0.84 -0.67 2.33 1.57 -0.80 -0.85 116.57 118.91 1xz4 h LYS 8 Ca 0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1xz4 h LYS 8 Cb 0.22 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xz4 h LYS 8 CO -0.00 0.56 0.18 0.77 -0.57 0.00 0.00 179.45 180.39 1xz4 h SER 9 N 0.87 1.00 -0.35 0.86 0.02 -1.16 -1.46 113.55 113.33 1xz4 h SER 9 Ca 0.37 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1xz4 h SER 9 Cb 0.23 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1xz4 h SER 9 CO -0.20 0.96 0.13 0.00 -1.14 0.00 0.00 176.83 176.59 1xz4 h ALA 10 N 1.08 0.46 0.39 3.77 0.00 -0.42 -0.06 119.26 124.48 1xz4 h ALA 10 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xz4 h ALA 10 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xz4 h ALA 10 CO -0.00 0.07 -0.19 0.28 0.00 0.00 0.00 179.25 179.41 1xz4 h VAL 11 N 0.42 0.62 -0.86 0.00 2.07 -1.03 -1.89 116.25 115.58 1xz4 h VAL 11 Ca 0.12 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1xz4 h VAL 11 Cb 0.20 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1xz4 h VAL 11 CO -0.01 0.02 0.52 0.74 0.02 0.00 0.00 177.57 178.86 1xz4 h THR 12 N -0.57 1.24 -0.36 2.57 2.02 -1.24 -2.36 112.91 114.21 1xz4 h THR 12 Ca -0.05 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1xz4 h THR 12 Cb 0.43 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1xz4 h THR 12 CO 0.09 0.25 0.11 0.00 0.37 0.00 0.00 175.52 176.35 1xz4 h ALA 13 N 1.28 0.47 -0.36 6.16 0.00 -0.83 -2.23 119.26 123.74 1xz4 h ALA 13 Ca 0.31 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1xz4 h ALA 13 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xz4 h ALA 13 CO -0.06 0.11 -0.26 1.25 0.00 0.00 0.00 179.25 180.29 1xz4 h LEU 14 N 0.43 0.76 -1.20 0.00 5.85 -1.23 -3.15 115.31 116.77 1xz4 h LEU 14 Ca 0.12 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 1xz4 h LEU 14 Cb 0.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xz4 h LEU 14 CO -0.00 0.99 -0.36 -0.25 -0.34 0.00 0.00 178.44 178.48 1xz4 h TRP 15 N 0.64 0.09 0.00 1.25 2.91 -1.21 -2.03 115.95 117.59 1xz4 h TRP 15 Ca 0.08 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1xz4 h TRP 15 Cb 0.78 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.40 1xz4 h TRP 15 CO 0.04 0.43 -0.01 0.78 -1.03 0.00 0.00 178.44 178.64 1xz4 h GLY 16 N 1.10 0.00 -1.55 2.65 0.00 -1.36 -1.43 103.07 102.48 1xz4 h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xz4 h GLY 16 CO 0.05 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.86 1xz4 n LYS 17 N -3.30 2.15 -2.95 4.80 5.02 -0.77 -4.96 118.16 118.15 1xz4 n LYS 17 Ca -0.02 -1.68 -0.40 0.00 -2.02 0.00 0.00 58.31 54.19 1xz4 n LYS 17 Cb 0.12 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1xz4 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xz4 s VAL 18 N -2.01 4.73 -0.48 -0.18 1.01 -0.54 -5.01 120.40 117.92 1xz4 s VAL 18 Ca 0.30 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.77 1xz4 s VAL 18 Cb 0.20 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1xz4 s VAL 18 CO 0.31 0.34 0.61 0.21 0.00 0.00 0.00 175.10 176.57 1xz4 s ASN 19 N 0.05 6.24 0.23 3.32 3.84 -1.26 -4.93 114.94 122.42 1xz4 s ASN 19 Ca 0.40 -0.78 -0.08 0.00 0.21 0.00 0.00 52.86 52.61 1xz4 s ASN 19 Cb -0.21 -2.29 0.22 0.00 -0.55 0.00 0.00 41.25 38.43 1xz4 s ASN 19 CO 0.24 -0.84 1.88 0.58 -2.79 0.00 0.00 177.10 176.17 1xz4 h VAL 20 N 5.85 1.16 0.03 -5.21 2.07 -1.95 0.04 116.25 118.24 1xz4 h VAL 20 Ca -0.27 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1xz4 h VAL 20 Cb 1.10 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1xz4 h VAL 20 CO 0.93 0.19 -0.14 0.44 0.02 0.00 0.00 177.57 179.02 1xz4 h ASP 21 N 1.07 -0.39 -0.12 0.57 3.32 -1.91 0.73 116.42 119.68 1xz4 h ASP 21 Ca 0.32 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 1xz4 h ASP 21 Cb -0.04 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xz4 h ASP 21 CO -0.10 -0.20 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.02 1xz4 h GLU 22 N -0.25 0.30 -0.44 3.56 4.81 -1.91 -2.21 114.58 118.45 1xz4 h GLU 22 Ca 0.04 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1xz4 h GLU 22 Cb 0.29 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1xz4 h GLU 22 CO -0.11 0.70 -0.06 0.28 -0.73 0.00 0.00 179.01 179.09 1xz4 h VAL 23 N -0.09 1.25 0.09 0.32 2.07 -0.86 -1.97 116.25 117.06 1xz4 h VAL 23 Ca 0.02 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1xz4 h VAL 23 Cb 0.65 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1xz4 h VAL 23 CO 0.03 0.37 -0.04 1.23 0.02 0.00 0.00 177.57 179.18 1xz4 h GLY 24 N 0.97 -0.13 1.05 2.17 0.00 0.56 -0.79 103.07 106.90 1xz4 h GLY 24 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1xz4 h GLY 24 CO 0.03 -0.05 0.21 -1.33 0.00 0.00 0.00 176.54 175.40 1xz4 h GLY 25 N -0.16 1.19 1.01 4.60 0.00 -1.27 -2.05 103.07 106.40 1xz4 h GLY 25 Ca -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 1xz4 h GLY 25 CO 0.02 0.67 0.27 0.83 0.00 0.00 0.00 176.54 178.33 1xz4 h GLU 26 N 1.05 0.98 -0.17 4.80 5.08 -1.08 -2.01 114.58 123.22 1xz4 h GLU 26 Ca 0.23 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xz4 h GLU 26 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xz4 h GLU 26 CO -0.00 0.82 -0.01 0.00 -1.00 0.00 0.00 179.01 178.81 1xz4 h ALA 27 N 1.11 0.24 -0.55 3.43 0.00 -0.89 -0.86 119.26 121.73 1xz4 h ALA 27 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1xz4 h ALA 27 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xz4 h ALA 27 CO -0.02 -0.04 -0.10 1.25 0.00 0.00 0.00 179.25 180.35 1xz4 h LEU 28 N 0.05 1.03 -0.50 0.00 5.85 -1.44 -1.56 115.31 118.76 1xz4 h LEU 28 Ca 0.05 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1xz4 h LEU 28 Cb 0.41 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1xz4 h LEU 28 CO 0.01 1.13 0.09 1.23 -0.34 0.00 0.00 178.44 180.56 1xz4 h GLY 29 N 0.94 0.88 1.28 3.75 0.00 -1.28 -2.21 103.07 106.42 1xz4 h GLY 29 Ca 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1xz4 h GLY 29 CO 0.05 0.54 0.12 3.21 0.00 0.00 0.00 176.54 180.46 1xz4 h ARG 30 N 0.69 0.90 -0.34 4.80 3.08 -1.11 -0.43 114.38 121.97 1xz4 h ARG 30 Ca 0.15 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.07 1xz4 h ARG 30 Cb 0.38 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1xz4 h ARG 30 CO 0.01 0.82 -0.05 1.25 -1.07 0.00 0.00 179.97 180.92 1xz4 h LEU 31 N 0.86 -0.24 -1.35 3.04 5.85 -0.95 0.13 115.31 122.65 1xz4 h LEU 31 Ca 0.18 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1xz4 h LEU 31 Cb 0.33 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1xz4 h LEU 31 CO 0.00 -0.08 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.80 1xz4 h LEU 32 N 0.04 0.00 0.10 2.25 4.07 -0.78 -1.41 115.31 119.58 1xz4 h LEU 32 Ca 0.16 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.76 1xz4 h LEU 32 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1xz4 h LEU 32 CO -0.32 0.15 -2.02 0.52 -1.08 0.00 0.00 178.44 175.69 1xz4 n VAL 33 N -3.35 1.73 0.08 1.22 0.31 -0.23 -3.76 118.33 114.34 1xz4 n VAL 33 Ca -0.00 -0.61 -0.10 0.00 -0.01 0.00 0.00 64.34 63.62 1xz4 n VAL 33 Cb 0.36 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 1xz4 n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1xz4 h VAL 34 N -0.01 1.50 -2.56 2.52 2.07 -0.74 -3.37 116.25 115.66 1xz4 h VAL 34 Ca -0.44 -2.75 -0.60 0.00 0.82 0.00 0.00 66.70 63.73 1xz4 h VAL 34 Cb 1.97 2.58 -0.41 0.00 -1.52 0.00 0.00 31.29 33.92 1xz4 h VAL 34 CO 0.05 0.80 -0.74 -1.22 0.02 0.00 0.00 177.57 176.48 1xz4 n TYR 35 N -3.62 1.95 0.29 1.57 4.01 -0.54 -5.00 117.16 115.83 1xz4 n TYR 35 Ca -0.05 -3.95 0.18 0.00 -0.16 0.00 0.00 57.90 53.93 1xz4 n TYR 35 Cb 0.86 -0.38 0.99 0.00 -0.31 0.00 0.00 39.34 40.51 1xz4 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xz4 h PRO 36 N 4.96 0.00 0.00 -0.72 0.11 -1.73 -1.11 132.00 133.50 1xz4 h PRO 36 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xz4 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1xz4 h PRO 36 CO 0.64 0.00 -0.02 0.11 -0.21 0.00 0.00 178.00 178.51 1xz4 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.91 115.95 112.86 1xz4 h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 1xz4 h TRP 37 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 1xz4 h TRP 37 CO 0.00 0.02 0.00 0.25 0.09 0.00 0.00 178.44 178.80 1xz4 n THR 38 N -3.30 0.87 0.30 0.12 -2.24 -0.42 -2.53 114.28 107.08 1xz4 n THR 38 Ca -0.02 0.32 0.19 0.00 -2.27 0.00 0.00 64.05 62.27 1xz4 n THR 38 Cb 0.14 -1.26 0.97 0.00 -2.10 0.00 0.00 70.33 68.09 1xz4 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xz4 h GLN 39 N 0.00 0.00 -0.05 -0.78 4.20 -1.55 -3.11 115.11 113.82 1xz4 h GLN 39 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1xz4 h GLN 39 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1xz4 h GLN 39 CO 0.00 0.00 0.04 0.07 -0.67 0.00 0.00 178.83 178.27 1xz4 h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.71 -0.92 114.38 113.32 1xz4 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xz4 h ARG 40 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1xz4 h ARG 40 CO 0.00 0.00 -0.05 1.19 0.10 0.00 0.00 179.97 181.21 1xz4 n PHE 41 N -4.20 0.00 -2.41 4.08 3.01 -1.18 -4.10 117.46 112.67 1xz4 n PHE 41 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.34 1xz4 n PHE 41 Cb 0.14 -0.27 0.04 0.00 -0.01 0.00 0.00 39.48 39.38 1xz4 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xz4 n PHE 42 N -1.22 1.80 -0.21 1.38 3.01 -0.35 -4.84 117.46 117.02 1xz4 n PHE 42 Ca 0.13 -2.07 0.00 0.00 1.01 0.00 0.00 57.45 56.53 1xz4 n PHE 42 Cb 0.26 -0.28 0.25 0.00 -0.01 0.00 0.00 39.48 39.70 1xz4 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xz4 h GLU 43 N 2.27 0.98 0.00 -1.08 5.08 -1.71 -1.51 114.58 118.62 1xz4 h GLU 43 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xz4 h GLU 43 Cb 1.41 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xz4 h GLU 43 CO 0.42 0.66 0.00 -1.13 -1.00 0.00 0.00 179.01 177.96 1xz4 n SER 44 N -4.42 0.08 0.25 1.42 3.41 -1.26 -2.98 113.62 110.12 1xz4 n SER 44 Ca 0.08 0.52 0.15 0.00 -0.26 0.00 0.00 58.87 59.36 1xz4 n SER 44 Cb 0.04 -0.54 0.46 0.00 -0.26 0.00 0.00 64.21 63.91 1xz4 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1xz4 h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.66 -3.50 116.94 119.16 1xz4 h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1xz4 h PHE 45 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.15 1xz4 h PHE 45 CO 0.00 0.02 0.00 0.41 -0.18 0.00 0.00 178.31 178.56 1xz4 n GLY 46 N 0.48 0.36 3.66 -1.45 0.00 -1.16 -4.83 105.19 102.26 1xz4 n GLY 46 Ca 0.02 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1xz4 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xz4 s ASP 47 N -4.00 6.79 -0.15 1.61 -1.08 -1.26 -4.91 116.67 113.66 1xz4 s ASP 47 Ca 0.00 0.96 0.16 0.00 -0.52 0.00 0.00 52.55 53.16 1xz4 s ASP 47 Cb 0.00 -2.39 0.33 0.00 -1.46 0.00 0.00 42.92 39.39 1xz4 s ASP 47 CO 0.00 -0.35 1.17 0.18 0.52 0.00 0.00 175.17 176.69 1xz4 n LEU 48 N 5.26 2.41 0.07 -1.34 4.77 -1.26 -4.54 117.00 122.37 1xz4 n LEU 48 Ca 0.01 -3.30 0.13 0.00 -0.03 0.00 0.00 56.01 52.83 1xz4 n LEU 48 Cb 0.49 -0.45 0.47 0.00 -2.33 0.00 0.00 43.42 41.60 1xz4 n LEU 48 CO 0.46 0.91 0.90 -1.54 -1.33 0.00 0.00 177.39 176.79 1xz4 n SER 49 N -1.31 0.57 -4.20 -1.43 3.41 -1.26 -4.73 113.62 104.68 1xz4 n SER 49 Ca 0.17 0.55 -0.16 0.00 -0.26 0.00 0.00 58.87 59.16 1xz4 n SER 49 Cb 0.66 -0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 1xz4 n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xz4 s THR 50 N -3.07 1.12 0.18 6.66 -4.23 -1.26 -5.04 115.64 110.00 1xz4 s THR 50 Ca 0.12 -1.60 -0.17 0.00 -1.18 0.00 0.00 61.69 58.85 1xz4 s THR 50 Cb 0.14 -1.37 0.13 0.00 1.34 0.00 0.00 72.50 72.75 1xz4 s THR 50 CO 0.58 -0.44 1.65 -0.65 -0.54 0.00 0.00 174.62 175.22 1xz4 h PRO 51 N 3.69 -0.04 -0.92 3.99 0.11 -1.97 -0.40 132.00 136.45 1xz4 h PRO 51 Ca -0.39 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1xz4 h PRO 51 Cb 1.19 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1xz4 h PRO 51 CO 0.49 -0.03 0.61 -0.44 -0.21 0.00 0.00 178.00 178.43 1xz4 h ASP 52 N -0.04 1.05 -0.67 -2.05 3.32 -1.98 0.35 116.42 116.41 1xz4 h ASP 52 Ca 0.22 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1xz4 h ASP 52 Cb 0.38 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1xz4 h ASP 52 CO -0.49 0.76 0.34 0.00 -1.72 0.00 0.00 179.24 178.13 1xz4 h ALA 53 N 1.34 0.86 -0.05 3.45 0.00 -1.70 -2.75 119.26 120.41 1xz4 h ALA 53 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xz4 h ALA 53 Cb -0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1xz4 h ALA 53 CO -0.08 0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 1xz4 h VAL 54 N 0.92 1.31 0.00 0.00 2.07 0.39 -2.89 116.25 118.06 1xz4 h VAL 54 Ca 0.23 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1xz4 h VAL 54 Cb 0.08 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1xz4 h VAL 54 CO -0.03 0.27 -0.05 0.24 0.02 0.00 0.00 177.57 178.01 1xz4 h MET 55 N -0.26 0.00 -0.52 1.57 2.07 -0.98 -2.32 114.93 114.48 1xz4 h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1xz4 h MET 55 Cb 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1xz4 h MET 55 CO 0.01 0.05 0.00 0.41 1.07 0.00 0.00 176.91 178.45 1xz4 n GLY 56 N -0.41 2.71 3.70 8.32 0.00 -1.04 -4.94 105.19 113.52 1xz4 n GLY 56 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1xz4 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xz4 s ASN 57 N -1.03 7.21 0.35 1.61 3.84 -0.88 -4.92 114.94 121.12 1xz4 s ASN 57 Ca 0.36 1.72 0.12 0.00 0.21 0.00 0.00 52.86 55.27 1xz4 s ASN 57 Cb 0.20 -2.56 0.64 0.00 -0.55 0.00 0.00 41.25 38.97 1xz4 s ASN 57 CO 0.23 -0.43 1.78 -0.65 -2.79 0.00 0.00 177.10 175.25 1xz4 h PRO 58 N 7.04 0.02 -0.01 0.43 0.11 -1.92 -1.83 132.00 135.83 1xz4 h PRO 58 Ca -0.37 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 1xz4 h PRO 58 Cb 1.18 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xz4 h PRO 58 CO 0.82 0.43 -0.61 0.87 -0.21 0.00 0.00 178.00 179.30 1xz4 h LYS 59 N 0.02 0.05 -0.24 1.05 1.57 -1.91 -0.76 116.57 116.36 1xz4 h LYS 59 Ca -0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1xz4 h LYS 59 Cb 0.74 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1xz4 h LYS 59 CO 0.05 0.65 -0.17 0.28 -0.57 0.00 0.00 179.45 179.69 1xz4 h VAL 60 N 0.04 1.31 -0.48 0.50 2.07 -1.82 -2.53 116.25 115.33 1xz4 h VAL 60 Ca -0.01 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1xz4 h VAL 60 Cb 1.09 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1xz4 h VAL 60 CO 0.08 0.40 0.26 0.11 0.02 0.00 0.00 177.57 178.45 1xz4 h LYS 61 N 0.24 0.68 -0.71 1.57 1.57 -1.05 -1.81 116.57 117.05 1xz4 h LYS 61 Ca 0.05 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1xz4 h LYS 61 Cb 0.70 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1xz4 h LYS 61 CO 0.05 0.53 0.21 0.00 -0.57 0.00 0.00 179.45 179.66 1xz4 h ALA 62 N 1.11 0.94 -0.04 3.86 0.00 -1.17 -2.74 119.26 121.21 1xz4 h ALA 62 Ca 0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1xz4 h ALA 62 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xz4 h ALA 62 CO -0.03 0.64 -0.70 1.25 0.00 0.00 0.00 179.25 180.41 1xz4 h HIS 63 N 1.06 0.30 -0.03 0.00 -0.00 -1.21 -2.44 115.15 112.84 1xz4 h HIS 63 Ca 0.23 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1xz4 h HIS 63 Cb 0.33 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1xz4 h HIS 63 CO 0.03 0.85 -0.11 0.78 -0.00 0.00 0.00 177.93 179.48 1xz4 h GLY 64 N 1.61 0.05 1.07 5.26 0.00 -1.25 0.43 103.07 110.25 1xz4 h GLY 64 Ca -0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1xz4 h GLY 64 CO 0.11 0.03 -0.80 0.50 0.00 0.00 0.00 176.54 176.38 1xz4 h LYS 65 N 0.05 0.66 -0.03 4.80 1.57 -1.14 -2.70 116.57 119.77 1xz4 h LYS 65 Ca 0.01 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1xz4 h LYS 65 Cb 0.23 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xz4 h LYS 65 CO 0.02 1.22 0.02 -0.22 -0.57 0.00 0.00 179.45 179.92 1xz4 h LYS 66 N 0.31 0.04 0.17 3.15 3.64 -0.95 -1.18 116.57 121.76 1xz4 h LYS 66 Ca -0.08 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1xz4 h LYS 66 Cb 1.45 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1xz4 h LYS 66 CO 0.16 0.04 -0.08 0.28 -2.27 0.00 0.00 179.45 177.58 1xz4 h VAL 67 N 0.03 0.86 0.00 2.00 2.07 -1.02 -2.35 116.25 117.84 1xz4 h VAL 67 Ca 0.01 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1xz4 h VAL 67 Cb 0.01 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1xz4 h VAL 67 CO -0.00 0.02 -0.20 0.25 0.02 0.00 0.00 177.57 177.65 1xz4 h LEU 68 N -0.26 0.00 -0.48 2.57 5.85 -1.48 -2.21 115.31 119.31 1xz4 h LEU 68 Ca -0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1xz4 h LEU 68 Cb 0.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1xz4 h LEU 68 CO 0.04 0.20 -0.01 1.23 -0.34 0.00 0.00 178.44 179.56 1xz4 h GLY 69 N 2.11 0.92 1.11 3.75 0.00 -1.00 0.13 103.07 110.08 1xz4 h GLY 69 Ca -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 1xz4 h GLY 69 CO 0.03 0.63 0.13 0.00 0.00 0.00 0.00 176.54 177.32 1xz4 h ALA 70 N 0.92 0.96 -0.85 3.60 0.00 -1.11 -2.18 119.26 120.60 1xz4 h ALA 70 Ca 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xz4 h ALA 70 Cb 0.52 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1xz4 h ALA 70 CO 0.03 0.66 0.51 0.35 0.00 0.00 0.00 179.25 180.80 1xz4 h PHE 71 N 1.03 1.12 -0.39 0.00 3.57 -1.21 -2.47 116.94 118.59 1xz4 h PHE 71 Ca 0.21 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1xz4 h PHE 71 Cb 0.41 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1xz4 h PHE 71 CO 0.03 0.75 0.19 1.03 -2.23 0.00 0.00 178.31 178.08 1xz4 h SER 72 N 1.17 0.29 -0.46 0.41 0.87 -0.14 -2.27 113.55 113.41 1xz4 h SER 72 Ca 0.31 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1xz4 h SER 72 Cb -0.05 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1xz4 h SER 72 CO -0.06 0.21 0.25 0.44 -0.53 0.00 0.00 176.83 177.14 1xz4 h ASP 73 N 0.40 0.60 0.21 6.23 3.32 -1.11 -0.58 116.42 125.49 1xz4 h ASP 73 Ca 0.16 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1xz4 h ASP 73 Cb 0.07 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1xz4 h ASP 73 CO -0.11 0.50 -0.18 1.23 -1.72 0.00 0.00 179.24 178.96 1xz4 h GLY 74 N 0.77 0.00 2.00 2.75 0.00 -0.97 -2.68 103.07 104.94 1xz4 h GLY 74 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1xz4 h GLY 74 CO -0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.92 1xz4 h LEU 75 N 0.00 0.00 -0.49 3.11 3.38 -0.81 -0.34 115.31 120.16 1xz4 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xz4 h LEU 75 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xz4 h LEU 75 CO 0.02 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.27 1xz4 n ALA 76 N -2.04 3.13 -2.65 1.53 0.00 -1.01 -4.03 120.51 115.43 1xz4 n ALA 76 Ca -0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 1xz4 n ALA 76 Cb 0.13 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.49 1xz4 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz4 n HIS 77 N -0.66 1.59 0.32 0.00 8.25 -0.15 -4.89 115.22 119.69 1xz4 n HIS 77 Ca 0.12 -2.53 0.20 0.00 -0.26 0.00 0.00 57.72 55.25 1xz4 n HIS 77 Cb 0.35 -0.29 1.05 0.00 1.12 0.00 0.00 29.99 32.23 1xz4 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xz4 h LEU 78 N 2.73 0.00 -0.55 2.41 3.38 -1.67 -0.71 115.31 120.90 1xz4 h LEU 78 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xz4 h LEU 78 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1xz4 h LEU 78 CO 0.44 0.00 -0.14 0.47 0.09 0.00 0.00 178.44 179.30 1xz4 n ASP 79 N -3.15 0.99 -2.93 -0.43 10.43 -1.26 -2.94 116.55 117.25 1xz4 n ASP 79 Ca -0.02 -1.00 -0.13 0.00 2.57 0.00 0.00 54.79 56.21 1xz4 n ASP 79 Cb 0.19 0.05 0.04 0.00 1.84 0.00 0.00 41.12 43.23 1xz4 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xz4 n ASN 80 N -0.50 -1.01 -0.18 -2.24 5.15 -0.28 -4.81 115.26 111.39 1xz4 n ASN 80 Ca 0.15 -3.38 -0.09 0.00 -0.60 0.00 0.00 54.58 50.66 1xz4 n ASN 80 Cb 0.32 0.82 0.01 0.00 -0.53 0.00 0.00 39.78 40.41 1xz4 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xz4 h LEU 81 N 3.07 0.80 -0.45 1.20 3.38 -1.73 -2.07 115.31 119.51 1xz4 h LEU 81 Ca -0.02 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1xz4 h LEU 81 Cb 1.04 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1xz4 h LEU 81 CO 0.30 0.85 0.05 0.11 0.09 0.00 0.00 178.44 179.84 1xz4 h LYS 82 N 0.71 0.17 -0.27 1.13 1.57 -1.91 0.14 116.57 118.11 1xz4 h LYS 82 Ca 0.15 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1xz4 h LYS 82 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1xz4 h LYS 82 CO 0.01 0.11 -0.01 0.78 -0.57 0.00 0.00 179.45 179.77 1xz4 h GLY 83 N 0.18 0.51 1.01 3.86 0.00 -1.93 -1.64 103.07 105.06 1xz4 h GLY 83 Ca 0.22 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1xz4 h GLY 83 CO -0.32 0.36 0.63 -0.84 0.00 0.00 0.00 176.54 176.37 1xz4 h THR 84 N 0.25 1.25 -0.68 4.70 2.02 -0.91 -2.89 112.91 116.65 1xz4 h THR 84 Ca 0.07 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1xz4 h THR 84 Cb 0.44 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1xz4 h THR 84 CO 0.02 0.24 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1xz4 n PHE 85 N -4.41 0.90 -0.23 3.16 3.01 0.43 -4.60 117.46 115.73 1xz4 n PHE 85 Ca 0.11 -0.45 -0.05 0.00 1.01 0.00 0.00 57.45 58.07 1xz4 n PHE 85 Cb 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.53 1xz4 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xz4 h ALA 86 N 4.40 0.83 -0.38 4.37 0.00 -1.08 0.60 119.26 128.00 1xz4 h ALA 86 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1xz4 h ALA 86 Cb 1.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xz4 h ALA 86 CO 0.00 0.24 -0.30 1.15 0.00 0.00 0.00 179.25 180.35 1xz4 h THR 87 N 0.87 1.28 -0.69 0.00 2.02 -1.81 -2.00 112.91 112.59 1xz4 h THR 87 Ca 0.24 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1xz4 h THR 87 Cb -0.09 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1xz4 h THR 87 CO -0.06 0.49 0.28 -0.07 0.37 0.00 0.00 175.52 176.53 1xz4 h LEU 88 N 0.69 0.92 -0.32 2.58 3.38 -1.80 -1.82 115.31 118.94 1xz4 h LEU 88 Ca 0.07 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xz4 h LEU 88 Cb 0.88 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1xz4 h LEU 88 CO 0.08 0.82 0.11 -1.28 0.09 0.00 0.00 178.44 178.26 1xz4 h SER 89 N 0.99 0.12 -0.63 -0.43 0.87 -0.58 -0.76 113.55 113.12 1xz4 h SER 89 Ca 0.23 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1xz4 h SER 89 Cb 0.18 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1xz4 h SER 89 CO -0.02 0.10 0.22 -0.33 -0.53 0.00 0.00 176.83 176.27 1xz4 h GLU 90 N 0.25 0.96 -0.22 2.24 5.08 -1.03 -1.50 114.58 120.36 1xz4 h GLU 90 Ca 0.14 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xz4 h GLU 90 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xz4 h GLU 90 CO -0.15 0.83 0.08 1.25 -1.00 0.00 0.00 179.01 180.02 1xz4 h LEU 91 N 0.89 0.09 -1.16 1.33 5.85 -1.12 0.84 115.31 122.04 1xz4 h LEU 91 Ca 0.21 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1xz4 h LEU 91 Cb 0.25 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xz4 h LEU 91 CO -0.01 0.08 -0.11 0.45 -0.34 0.00 0.00 178.44 178.51 1xz4 h HIS 92 N 0.18 0.48 0.04 1.25 3.86 -0.78 0.49 115.15 120.67 1xz4 h HIS 92 Ca 0.09 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xz4 h HIS 92 Cb 0.06 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1xz4 h HIS 92 CO -0.12 0.55 -0.02 0.00 0.86 0.00 0.00 177.93 179.21 1xz4 h ASP 94 N -0.78 0.46 0.01 0.00 3.32 -0.74 -3.23 116.42 115.46 1xz4 h ASP 94 Ca -0.01 -0.72 -0.40 0.00 0.02 0.00 0.00 57.03 55.92 1xz4 h ASP 94 Cb 0.66 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 1xz4 h ASP 94 CO 0.01 1.61 -2.38 0.29 -1.72 0.00 0.00 179.24 177.05 1xz4 n LYS 95 N -3.49 0.64 0.04 3.56 4.76 0.07 -4.69 118.16 119.05 1xz4 n LYS 95 Ca -0.22 0.22 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1xz4 n LYS 95 Cb 1.06 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 32.62 1xz4 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xz4 n LEU 96 N -3.63 0.42 -3.77 -0.35 4.77 -0.61 -4.97 117.00 108.85 1xz4 n LEU 96 Ca -0.46 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 1xz4 n LEU 96 Cb 0.95 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 42.04 1xz4 n LEU 96 CO 0.21 -0.07 -0.03 1.41 -1.33 0.00 0.00 177.39 177.58 1xz4 n HIS 97 N -2.39 -2.01 -3.20 -1.77 8.25 -0.16 -4.94 115.22 109.00 1xz4 n HIS 97 Ca -0.02 0.85 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 1xz4 n HIS 97 Cb 0.55 -4.25 -0.06 0.00 1.12 0.00 0.00 29.99 27.34 1xz4 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xz4 s VAL 98 N -3.59 5.09 0.15 1.59 1.01 -0.73 -5.02 120.40 118.89 1xz4 s VAL 98 Ca 0.18 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.91 1xz4 s VAL 98 Cb -0.09 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1xz4 s VAL 98 CO 0.82 0.18 1.68 -0.62 0.00 0.00 0.00 175.10 177.16 1xz4 s ASP 99 N 1.07 6.50 0.57 3.32 3.68 -1.26 -4.72 116.67 125.83 1xz4 s ASP 99 Ca 0.27 2.69 0.35 0.00 2.13 0.00 0.00 52.55 57.99 1xz4 s ASP 99 Cb -0.16 -2.58 1.90 0.00 -1.45 0.00 0.00 42.92 40.63 1xz4 s ASP 99 CO 0.10 -0.91 2.07 -0.65 0.13 0.00 0.00 175.17 175.91 1xz4 h PRO 100 N 7.46 0.00 -0.46 4.34 0.11 -1.96 -0.96 132.00 140.53 1xz4 h PRO 100 Ca -0.43 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.75 1xz4 h PRO 100 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1xz4 h PRO 100 CO 0.94 0.00 0.31 1.49 -0.21 0.00 0.00 178.00 180.53 1xz4 h GLU 101 N 0.00 0.31 -0.72 1.05 4.57 -1.99 -1.32 114.58 116.49 1xz4 h GLU 101 Ca 0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1xz4 h GLU 101 Cb 0.17 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1xz4 h GLU 101 CO 0.00 0.21 0.47 -0.91 -1.18 0.00 0.00 179.01 177.60 1xz4 h ASN 102 N 0.32 0.67 -0.51 1.04 2.35 -1.55 -1.12 115.58 116.79 1xz4 h ASN 102 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1xz4 h ASN 102 Cb 0.40 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1xz4 h ASN 102 CO -0.05 0.44 0.17 -0.26 -1.65 0.00 0.00 177.43 176.08 1xz4 h PHE 103 N 0.77 0.85 -0.28 1.19 0.04 -1.42 -0.40 116.94 117.69 1xz4 h PHE 103 Ca 0.30 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 1xz4 h PHE 103 Cb 0.22 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1xz4 h PHE 103 CO -0.00 0.69 -0.10 0.00 -0.60 0.00 0.00 178.31 178.30 1xz4 h ARG 104 N 0.81 0.56 -0.64 1.51 3.08 -1.22 -2.11 114.38 116.37 1xz4 h ARG 104 Ca 0.18 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1xz4 h ARG 104 Cb 0.24 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1xz4 h ARG 104 CO -0.01 0.78 0.09 -0.07 -1.07 0.00 0.00 179.97 179.69 1xz4 h LEU 105 N 0.31 1.01 -0.92 3.04 3.38 -1.20 -2.30 115.31 118.63 1xz4 h LEU 105 Ca 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1xz4 h LEU 105 Cb 0.59 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1xz4 h LEU 105 CO 0.03 1.01 0.37 0.25 0.09 0.00 0.00 178.44 180.19 1xz4 h LEU 106 N 0.98 1.05 -0.66 1.67 5.85 -1.00 -1.91 115.31 121.28 1xz4 h LEU 106 Ca 0.19 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1xz4 h LEU 106 Cb 0.44 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1xz4 h LEU 106 CO 0.01 0.89 0.42 1.23 -0.34 0.00 0.00 178.44 180.66 1xz4 h GLY 107 N 1.16 0.94 1.71 3.75 0.00 -0.94 0.04 103.07 109.73 1xz4 h GLY 107 Ca 0.27 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1xz4 h GLY 107 CO -0.03 0.29 -0.51 3.43 0.00 0.00 0.00 176.54 179.72 1xz4 h ASN 108 N 0.84 0.34 -0.64 0.19 2.35 -1.05 -1.47 115.58 116.15 1xz4 h ASN 108 Ca 0.26 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1xz4 h ASN 108 Cb -0.03 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1xz4 h ASN 108 CO -0.08 0.79 0.05 0.58 -1.65 0.00 0.00 177.43 177.12 1xz4 h VAL 109 N 0.25 1.27 -0.52 2.81 2.07 -1.11 -2.08 116.25 118.93 1xz4 h VAL 109 Ca 0.01 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1xz4 h VAL 109 Cb 0.98 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1xz4 h VAL 109 CO 0.08 0.41 0.20 0.25 0.02 0.00 0.00 177.57 178.53 1xz4 h LEU 110 N 1.01 0.73 -0.57 2.57 5.85 -0.57 -1.46 115.31 122.87 1xz4 h LEU 110 Ca 0.19 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1xz4 h LEU 110 Cb 0.51 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1xz4 h LEU 110 CO 0.02 0.70 0.23 0.58 -0.34 0.00 0.00 178.44 179.64 1xz4 h VAL 111 N 0.71 0.82 0.00 1.05 2.07 -1.00 -1.22 116.25 118.69 1xz4 h VAL 111 Ca 0.17 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1xz4 h VAL 111 Cb 0.21 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1xz4 h VAL 111 CO -0.01 0.08 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 1xz4 h VAL 113 N 0.00 1.28 -0.41 0.00 2.07 -0.72 -0.74 116.25 117.73 1xz4 h VAL 113 Ca -0.00 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 1xz4 h VAL 113 Cb 0.45 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1xz4 h VAL 113 CO 0.03 0.64 0.10 -0.07 0.02 0.00 0.00 177.57 178.29 1xz4 h LEU 114 N 0.50 0.63 -0.78 2.57 3.38 -1.03 -0.67 115.31 119.91 1xz4 h LEU 114 Ca -0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1xz4 h LEU 114 Cb 1.45 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1xz4 h LEU 114 CO 0.17 0.70 0.42 0.00 0.09 0.00 0.00 178.44 179.82 1xz4 h ALA 115 N 0.95 1.00 -0.20 1.53 0.00 -1.20 -0.33 119.26 121.01 1xz4 h ALA 115 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xz4 h ALA 115 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xz4 h ALA 115 CO 0.00 0.52 0.08 1.25 0.00 0.00 0.00 179.25 181.11 1xz4 h HIS 116 N 1.09 0.29 -0.26 0.00 -0.00 -0.94 -1.10 115.15 114.23 1xz4 h HIS 116 Ca 0.27 -0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.43 1xz4 h HIS 116 Cb 0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1xz4 h HIS 116 CO 0.00 0.34 -0.59 1.25 -0.00 0.00 0.00 177.93 178.93 1xz4 h HIS 117 N 0.17 1.10 -0.01 5.26 6.17 -1.00 -3.34 115.15 123.49 1xz4 h HIS 117 Ca 0.07 -0.41 0.00 0.00 0.71 0.00 0.00 60.37 60.74 1xz4 h HIS 117 Cb 0.16 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 29.89 1xz4 h HIS 117 CO -0.01 1.24 -0.61 1.19 0.71 0.00 0.00 177.93 180.45 1xz4 n PHE 118 N -3.99 0.00 -2.01 5.26 3.01 -0.15 -5.04 117.46 114.54 1xz4 n PHE 118 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1xz4 n PHE 118 Cb 0.65 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1xz4 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xz4 n GLY 119 N 1.45 3.08 0.18 1.37 0.00 -0.42 -2.46 105.19 108.39 1xz4 n GLY 119 Ca 0.07 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1xz4 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xz4 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.58 116.57 117.73 1xz4 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1xz4 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xz4 h LYS 120 CO 0.00 0.00 -0.12 1.49 -2.00 0.00 0.00 179.45 178.82 1xz4 h GLU 121 N 0.00 0.00 -4.26 0.07 4.81 -1.88 -3.33 114.58 110.00 1xz4 h GLU 121 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1xz4 h GLU 121 Cb 0.15 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 1xz4 h GLU 121 CO 0.00 0.12 2.43 0.34 -0.73 0.00 0.00 179.01 181.17 1xz4 n PHE 122 N -3.25 3.72 -1.48 0.92 7.35 -0.23 -4.94 117.46 119.56 1xz4 n PHE 122 Ca 0.01 -2.94 -0.31 0.00 -0.76 0.00 0.00 57.45 53.44 1xz4 n PHE 122 Cb 0.39 -2.34 0.07 0.00 0.35 0.00 0.00 39.48 37.94 1xz4 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz4 s THR 123 N 2.33 3.64 0.24 -2.13 -4.23 -1.25 -4.72 115.64 109.52 1xz4 s THR 123 Ca 0.45 0.56 -0.09 0.00 -1.18 0.00 0.00 61.69 61.44 1xz4 s THR 123 Cb 0.09 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 71.07 1xz4 s THR 123 CO -0.02 -0.66 1.62 -0.65 -0.54 0.00 0.00 174.62 174.36 1xz4 h PRO 124 N -0.77 0.05 -0.38 3.99 0.11 -1.93 0.91 132.00 133.97 1xz4 h PRO 124 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1xz4 h PRO 124 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xz4 h PRO 124 CO 0.54 0.03 0.13 -1.35 -0.21 0.00 0.00 178.00 177.14 1xz4 h PRO 125 N 0.05 0.55 -0.15 1.05 0.11 -1.99 -1.26 132.00 130.36 1xz4 h PRO 125 Ca 0.39 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1xz4 h PRO 125 Cb 0.66 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1xz4 h PRO 125 CO -0.72 0.48 -0.39 0.28 -0.21 0.00 0.00 178.00 177.43 1xz4 h VAL 126 N 0.55 1.35 -0.57 3.15 2.07 -1.37 -2.41 116.25 119.02 1xz4 h VAL 126 Ca 0.13 -1.67 0.11 0.00 0.82 0.00 0.00 66.70 66.09 1xz4 h VAL 126 Cb 0.15 2.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 1xz4 h VAL 126 CO -0.01 0.51 0.11 -0.61 0.02 0.00 0.00 177.57 177.59 1xz4 h GLN 127 N 0.16 0.24 -0.62 1.57 4.15 -0.60 -1.41 115.11 118.60 1xz4 h GLN 127 Ca -0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1xz4 h GLN 127 Cb 1.01 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1xz4 h GLN 127 CO 0.09 0.16 0.32 0.00 -1.93 0.00 0.00 178.83 177.46 1xz4 h ALA 128 N 1.46 1.40 -0.40 3.38 0.00 -1.00 0.11 119.26 124.21 1xz4 h ALA 128 Ca 0.30 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1xz4 h ALA 128 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xz4 h ALA 128 CO -0.39 0.48 -0.36 0.00 0.00 0.00 0.00 179.25 178.99 1xz4 h ALA 129 N 1.49 0.58 -0.14 0.00 0.00 -0.90 -2.72 119.26 117.57 1xz4 h ALA 129 Ca 0.22 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1xz4 h ALA 129 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xz4 h ALA 129 CO -0.03 0.67 -0.50 1.88 0.00 0.00 0.00 179.25 181.27 1xz4 h TYR 130 N 0.78 0.48 -0.51 0.00 0.05 -0.31 -2.20 116.97 115.26 1xz4 h TYR 130 Ca 0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 1xz4 h TYR 130 Cb 0.95 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 1xz4 h TYR 130 CO 0.06 0.82 0.27 1.96 -1.05 0.00 0.00 178.16 180.22 1xz4 h GLN 131 N 0.31 0.69 -0.30 4.88 1.08 -0.68 0.14 115.11 121.23 1xz4 h GLN 131 Ca 0.01 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 1xz4 h GLN 131 Cb 0.99 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1xz4 h GLN 131 CO 0.09 0.52 -0.42 0.87 -0.95 0.00 0.00 178.83 178.93 1xz4 h LYS 132 N 0.70 0.74 -0.11 1.46 1.57 -1.19 -2.18 116.57 117.56 1xz4 h LYS 132 Ca 0.18 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1xz4 h LYS 132 Cb 0.03 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xz4 h LYS 132 CO -0.03 1.02 -0.04 0.28 -0.57 0.00 0.00 179.45 180.11 1xz4 h VAL 133 N 0.60 1.30 -0.40 0.50 2.07 -0.72 -1.23 116.25 118.38 1xz4 h VAL 133 Ca 0.04 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1xz4 h VAL 133 Cb 0.97 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1xz4 h VAL 133 CO 0.09 0.29 -0.08 -0.37 0.02 0.00 0.00 177.57 177.52 1xz4 h VAL 134 N -0.10 1.24 -0.61 2.57 -1.51 -0.74 -1.23 116.25 115.88 1xz4 h VAL 134 Ca 0.03 -1.06 -0.05 0.00 -1.23 0.00 0.00 66.70 64.39 1xz4 h VAL 134 Cb 0.48 1.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 1xz4 h VAL 134 CO 0.01 0.36 0.20 0.00 -1.23 0.00 0.00 177.57 176.92 1xz4 h ALA 135 N 1.29 0.79 -0.72 5.19 0.00 -1.38 -1.46 119.26 122.97 1xz4 h ALA 135 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1xz4 h ALA 135 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xz4 h ALA 135 CO 0.03 0.45 0.20 0.78 0.00 0.00 0.00 179.25 180.71 1xz4 h GLY 136 N 0.86 1.22 0.92 0.00 0.00 -0.54 0.94 103.07 106.47 1xz4 h GLY 136 Ca 0.20 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1xz4 h GLY 136 CO -0.01 0.69 0.05 -2.08 0.00 0.00 0.00 176.54 175.19 1xz4 h VAL 137 N 1.08 1.24 -0.79 4.60 2.07 -1.20 -0.84 116.25 122.41 1xz4 h VAL 137 Ca 0.23 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1xz4 h VAL 137 Cb 0.34 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1xz4 h VAL 137 CO -0.00 0.30 0.44 0.00 0.02 0.00 0.00 177.57 178.32 1xz4 h ALA 138 N 0.90 1.01 -0.40 1.67 0.00 -1.05 -0.88 119.26 120.52 1xz4 h ALA 138 Ca 0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1xz4 h ALA 138 Cb 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xz4 h ALA 138 CO 0.01 0.52 -0.18 -0.91 0.00 0.00 0.00 179.25 178.69 1xz4 h ASN 139 N 1.10 0.76 -0.67 0.00 -0.26 -0.62 -2.53 115.58 113.36 1xz4 h ASN 139 Ca 0.28 -0.26 -0.05 0.00 -0.56 0.00 0.00 56.30 55.72 1xz4 h ASN 139 Cb 0.03 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 1xz4 h ASN 139 CO -0.05 0.94 0.24 0.00 -1.06 0.00 0.00 177.43 177.50 1xz4 h ALA 140 N 1.12 0.88 0.00 -0.83 0.00 -0.81 -1.89 119.26 117.74 1xz4 h ALA 140 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1xz4 h ALA 140 Cb 0.67 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xz4 h ALA 140 CO 0.05 0.53 -0.15 -0.07 0.00 0.00 0.00 179.25 179.60 1xz4 h LEU 141 N 0.97 0.00 0.00 0.00 3.38 -0.95 -2.55 115.31 116.15 1xz4 h LEU 141 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1xz4 h LEU 141 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xz4 h LEU 141 CO -0.01 0.15 -0.60 0.00 0.09 0.00 0.00 178.44 178.07 1xz4 n ALA 142 N -2.22 3.51 -0.01 1.53 0.00 -0.97 -4.40 120.51 117.95 1xz4 n ALA 142 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1xz4 n ALA 142 Cb 0.34 -1.09 0.21 0.00 0.00 0.00 0.00 19.45 18.90 1xz4 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xz4 h HIS 143 N 0.00 0.61 -0.39 0.00 6.17 -0.90 -2.62 115.15 118.01 1xz4 h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1xz4 h HIS 143 Cb 0.56 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.33 1xz4 h HIS 143 CO 0.00 0.69 0.00 1.63 0.71 0.00 0.00 177.93 180.96 1xz4 n LYS 144 N -4.17 1.91 -2.25 5.26 4.76 -1.26 -4.92 118.16 117.48 1xz4 n LYS 144 Ca 0.01 -1.41 -0.39 0.00 -2.87 0.00 0.00 58.31 53.65 1xz4 n LYS 144 Cb 0.35 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.22 1xz4 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xz4 s TYR 145 N -1.48 3.06 0.00 2.13 2.02 -0.99 -4.77 117.35 117.32 1xz4 s TYR 145 Ca 0.27 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.50 1xz4 s TYR 145 Cb 0.14 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1xz4 s TYR 145 CO 0.18 -1.43 0.00 -2.39 -1.57 0.00 0.00 175.55 170.34