#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz0 s HIS 2 N 0.00 2.54 0.08 6.34 5.04 -1.26 -4.59 115.29 123.45 1bz0 s HIS 2 Ca 0.00 -0.39 0.10 0.00 -1.54 0.00 0.00 55.06 53.23 1bz0 s HIS 2 Cb 0.00 -4.41 -0.03 0.00 0.04 0.00 0.00 32.58 28.18 1bz0 s HIS 2 CO 0.00 -1.80 -0.27 -0.51 -2.34 0.00 0.00 174.74 169.83 1bz0 s LEU 3 N 4.62 2.23 0.80 8.88 1.43 -1.26 -5.11 118.68 130.27 1bz0 s LEU 3 Ca 0.27 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1bz0 s LEU 3 Cb -0.14 -1.25 0.07 0.00 0.03 0.00 0.00 46.19 44.90 1bz0 s LEU 3 CO 0.11 0.22 1.11 0.42 0.23 0.00 0.00 176.35 178.45 1bz0 s THR 4 N -0.91 2.86 0.46 5.49 -4.23 -1.26 -4.78 115.64 113.27 1bz0 s THR 4 Ca 0.13 0.28 0.20 0.00 -1.18 0.00 0.00 61.69 61.12 1bz0 s THR 4 Cb -0.10 -3.10 0.39 0.00 1.34 0.00 0.00 72.50 71.02 1bz0 s THR 4 CO 0.04 -0.36 1.91 -0.65 -0.54 0.00 0.00 174.62 175.01 1bz0 h PRO 5 N -1.06 0.27 -0.22 3.99 0.11 -1.99 -0.60 132.00 132.49 1bz0 h PRO 5 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1bz0 h PRO 5 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1bz0 h PRO 5 CO 0.61 0.18 -0.06 0.93 -0.21 0.00 0.00 178.00 179.46 1bz0 h GLU 6 N 0.28 0.43 -0.36 1.05 3.07 -1.99 -2.00 114.58 115.05 1bz0 h GLU 6 Ca 0.38 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1bz0 h GLU 6 Cb 1.09 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1bz0 h GLU 6 CO -0.10 0.67 0.04 0.93 -1.40 0.00 0.00 179.01 179.15 1bz0 h GLU 7 N 0.16 0.61 -0.15 2.33 5.08 -1.61 -1.51 114.58 119.50 1bz0 h GLU 7 Ca 0.06 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1bz0 h GLU 7 Cb 0.51 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1bz0 h GLU 7 CO 0.02 0.70 0.08 0.87 -1.00 0.00 0.00 179.01 179.69 1bz0 h LYS 8 N 0.44 0.17 -0.40 2.33 1.57 -1.07 -1.37 116.57 118.24 1bz0 h LYS 8 Ca 0.11 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1bz0 h LYS 8 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1bz0 h LYS 8 CO 0.01 0.11 0.14 0.77 -0.57 0.00 0.00 179.45 179.92 1bz0 h SER 9 N 0.18 0.51 -0.35 0.86 0.02 -1.25 -0.75 113.55 112.77 1bz0 h SER 9 Ca 0.06 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1bz0 h SER 9 Cb -0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1bz0 h SER 9 CO -0.03 0.48 0.11 0.00 -1.14 0.00 0.00 176.83 176.24 1bz0 h ALA 10 N 1.60 0.46 0.04 3.77 0.00 -0.89 0.33 119.26 124.57 1bz0 h ALA 10 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bz0 h ALA 10 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bz0 h ALA 10 CO -0.01 0.11 -0.02 0.28 0.00 0.00 0.00 179.25 179.61 1bz0 h VAL 11 N 0.41 1.05 -0.60 0.00 2.07 -0.68 -2.37 116.25 116.14 1bz0 h VAL 11 Ca 0.11 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1bz0 h VAL 11 Cb 0.26 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1bz0 h VAL 11 CO -0.00 0.07 0.28 0.74 0.02 0.00 0.00 177.57 178.68 1bz0 h THR 12 N -0.17 1.21 -0.14 2.57 2.02 -1.10 -1.91 112.91 115.39 1bz0 h THR 12 Ca -0.01 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1bz0 h THR 12 Cb 0.15 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1bz0 h THR 12 CO 0.01 0.25 0.08 0.00 0.37 0.00 0.00 175.52 176.23 1bz0 h ALA 13 N 1.12 0.19 -0.57 6.16 0.00 -0.89 -2.22 119.26 123.05 1bz0 h ALA 13 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1bz0 h ALA 13 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bz0 h ALA 13 CO -0.02 -0.29 -0.01 1.25 0.00 0.00 0.00 179.25 180.18 1bz0 h LEU 14 N 0.15 0.96 -1.83 0.00 6.46 -1.35 -3.04 115.31 116.66 1bz0 h LEU 14 Ca 0.05 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1bz0 h LEU 14 Cb 0.05 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 1bz0 h LEU 14 CO -0.01 1.02 0.13 -0.25 -0.62 0.00 0.00 178.44 178.71 1bz0 h TRP 15 N 0.90 0.22 0.00 1.25 2.91 -1.10 -0.65 115.95 119.48 1bz0 h TRP 15 Ca 0.16 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1bz0 h TRP 15 Cb 0.54 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1bz0 h TRP 15 CO 0.03 0.14 0.00 0.78 -1.03 0.00 0.00 178.44 178.36 1bz0 h GLY 16 N 0.24 0.00 -0.49 2.65 0.00 -1.28 -1.31 103.07 102.88 1bz0 h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1bz0 h GLY 16 CO -0.02 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.48 1bz0 n LYS 17 N -2.94 1.15 -2.84 4.80 5.02 -0.25 -4.96 118.16 118.14 1bz0 n LYS 17 Ca -0.01 -0.84 -0.40 0.00 -2.02 0.00 0.00 58.31 55.04 1bz0 n LYS 17 Cb 0.15 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1bz0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bz0 s VAL 18 N -2.43 4.43 -0.54 -0.18 1.01 -0.50 -5.01 120.40 117.18 1bz0 s VAL 18 Ca 0.23 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.93 1bz0 s VAL 18 Cb 0.19 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1bz0 s VAL 18 CO 0.52 0.41 0.66 0.21 0.00 0.00 0.00 175.10 176.89 1bz0 s ASN 19 N -0.50 6.20 0.20 3.32 3.84 -1.26 -4.93 114.94 121.81 1bz0 s ASN 19 Ca 0.42 -1.15 -0.10 0.00 0.21 0.00 0.00 52.86 52.24 1bz0 s ASN 19 Cb -0.23 -2.29 0.22 0.00 -0.55 0.00 0.00 41.25 38.40 1bz0 s ASN 19 CO 0.28 -0.99 1.80 0.58 -2.79 0.00 0.00 177.10 175.99 1bz0 h VAL 20 N 5.89 0.97 -0.37 -5.21 2.07 -1.95 0.48 116.25 118.12 1bz0 h VAL 20 Ca -0.28 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1bz0 h VAL 20 Cb 1.09 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1bz0 h VAL 20 CO 1.02 0.12 0.06 0.44 0.02 0.00 0.00 177.57 179.23 1bz0 h ASP 21 N 0.66 0.59 0.27 0.57 3.32 -1.91 0.62 116.42 120.53 1bz0 h ASP 21 Ca 0.29 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bz0 h ASP 21 Cb 0.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1bz0 h ASP 21 CO -0.18 0.71 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.84 1bz0 h GLU 22 N 0.46 -0.35 -0.54 3.56 4.81 -1.87 -1.93 114.58 118.72 1bz0 h GLU 22 Ca 0.11 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1bz0 h GLU 22 Cb 0.37 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1bz0 h GLU 22 CO 0.01 -0.10 0.24 0.28 -0.73 0.00 0.00 179.01 178.71 1bz0 h VAL 23 N -0.56 1.19 -0.03 0.32 2.07 -0.92 -2.06 116.25 116.26 1bz0 h VAL 23 Ca -0.04 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1bz0 h VAL 23 Cb 0.41 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1bz0 h VAL 23 CO 0.06 0.23 -0.03 1.23 0.02 0.00 0.00 177.57 179.08 1bz0 h GLY 24 N 0.88 0.00 1.01 2.17 0.00 -0.70 0.12 103.07 106.56 1bz0 h GLY 24 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1bz0 h GLY 24 CO -0.02 -0.03 0.49 -1.33 0.00 0.00 0.00 176.54 175.64 1bz0 h GLY 25 N -0.03 1.22 0.83 4.60 0.00 -1.16 -1.63 103.07 106.89 1bz0 h GLY 25 Ca 0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1bz0 h GLY 25 CO -0.05 0.50 0.03 0.83 0.00 0.00 0.00 176.54 177.85 1bz0 h GLU 26 N 1.15 0.22 -0.33 4.80 4.39 -1.11 -0.69 114.58 123.00 1bz0 h GLU 26 Ca 0.30 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1bz0 h GLU 26 Cb -0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1bz0 h GLU 26 CO -0.05 0.38 -0.04 0.00 -1.16 0.00 0.00 179.01 178.14 1bz0 h ALA 27 N 0.83 0.45 -0.38 3.43 0.00 -0.66 -0.09 119.26 122.84 1bz0 h ALA 27 Ca 0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1bz0 h ALA 27 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bz0 h ALA 27 CO 0.00 0.25 -0.15 1.25 0.00 0.00 0.00 179.25 180.60 1bz0 h LEU 28 N 0.40 0.78 -0.50 0.00 5.85 -1.30 -0.91 115.31 119.63 1bz0 h LEU 28 Ca 0.09 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1bz0 h LEU 28 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1bz0 h LEU 28 CO 0.02 1.00 0.31 1.23 -0.34 0.00 0.00 178.44 180.67 1bz0 h GLY 29 N 0.56 0.72 1.45 3.75 0.00 -1.03 -2.22 103.07 106.30 1bz0 h GLY 29 Ca 0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1bz0 h GLY 29 CO 0.05 0.28 -0.02 3.21 0.00 0.00 0.00 176.54 180.06 1bz0 h ARG 30 N 0.68 0.68 -0.35 4.80 3.08 -0.90 -1.45 114.38 120.91 1bz0 h ARG 30 Ca 0.18 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1bz0 h ARG 30 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1bz0 h ARG 30 CO -0.04 0.71 0.18 1.25 -1.07 0.00 0.00 179.97 181.00 1bz0 h LEU 31 N 0.64 0.27 -1.40 3.04 5.85 -0.76 0.15 115.31 123.09 1bz0 h LEU 31 Ca 0.13 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1bz0 h LEU 31 Cb 0.43 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1bz0 h LEU 31 CO 0.02 0.20 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.01 1bz0 h LEU 32 N 0.37 0.00 0.06 2.25 4.07 -0.86 -0.59 115.31 120.62 1bz0 h LEU 32 Ca 0.15 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.95 1bz0 h LEU 32 Cb 0.05 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 1bz0 h LEU 32 CO -0.09 0.23 -0.77 0.58 -1.08 0.00 0.00 178.44 177.31 1bz0 h VAL 33 N 0.00 1.39 0.00 1.22 2.07 -0.92 -3.32 116.25 116.69 1bz0 h VAL 33 Ca -0.00 -2.38 -0.24 0.00 0.82 0.00 0.00 66.70 64.90 1bz0 h VAL 33 Cb 0.61 2.98 0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1bz0 h VAL 33 CO 0.03 0.61 -0.98 0.58 0.02 0.00 0.00 177.57 177.83 1bz0 h VAL 34 N -0.67 1.37 -2.79 2.57 2.07 -0.69 -3.37 116.25 114.73 1bz0 h VAL 34 Ca -0.17 -2.40 -0.61 0.00 0.82 0.00 0.00 66.70 64.34 1bz0 h VAL 34 Cb 1.40 2.42 -0.41 0.00 -1.52 0.00 0.00 31.29 33.18 1bz0 h VAL 34 CO 0.02 0.72 -0.69 -1.22 0.02 0.00 0.00 177.57 176.42 1bz0 n TYR 35 N -3.77 2.11 0.33 1.57 4.01 -0.23 -4.99 117.16 116.18 1bz0 n TYR 35 Ca -0.08 -4.02 0.21 0.00 -0.16 0.00 0.00 57.90 53.85 1bz0 n TYR 35 Cb 0.85 -0.38 1.13 0.00 -0.31 0.00 0.00 39.34 40.63 1bz0 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bz0 h PRO 36 N 5.30 0.00 0.00 -0.72 0.13 -1.74 -1.37 132.00 133.61 1bz0 h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1bz0 h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1bz0 h PRO 36 CO 0.63 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.48 1bz0 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.10 115.95 114.59 1bz0 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1bz0 h TRP 37 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 1bz0 h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1bz0 n THR 38 N -3.28 0.96 0.39 0.12 -2.24 -0.51 -2.06 114.28 107.65 1bz0 n THR 38 Ca -0.02 0.34 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 1bz0 n THR 38 Cb 0.17 -1.25 0.48 0.00 -2.10 0.00 0.00 70.33 67.63 1bz0 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bz0 n GLN 39 N -2.07 0.17 0.07 -0.78 6.02 -0.42 -3.59 117.38 116.79 1bz0 n GLN 39 Ca 0.02 0.42 0.21 0.00 -0.01 0.00 0.00 57.00 57.64 1bz0 n GLN 39 Cb 0.17 -1.84 0.73 0.00 1.02 0.00 0.00 30.24 30.32 1bz0 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1bz0 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.63 -1.05 114.38 110.72 1bz0 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bz0 h ARG 40 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1bz0 h ARG 40 CO 0.00 0.00 -0.58 1.19 0.10 0.00 0.00 179.97 180.68 1bz0 n PHE 41 N -3.73 0.04 -1.05 4.08 3.72 -1.24 -4.44 117.46 114.84 1bz0 n PHE 41 Ca 0.08 0.01 0.07 0.00 -0.05 0.00 0.00 57.45 57.57 1bz0 n PHE 41 Cb 0.67 -0.25 0.24 0.00 -0.94 0.00 0.00 39.48 39.19 1bz0 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bz0 n PHE 42 N -1.55 0.85 0.26 1.38 3.72 -0.40 -4.73 117.46 116.99 1bz0 n PHE 42 Ca 0.05 -0.97 0.12 0.00 -0.05 0.00 0.00 57.45 56.60 1bz0 n PHE 42 Cb 0.34 -0.31 0.77 0.00 -0.94 0.00 0.00 39.48 39.34 1bz0 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bz0 h GLU 43 N 1.49 0.00 0.00 -1.08 5.08 -1.77 -0.64 114.58 117.65 1bz0 h GLU 43 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1bz0 h GLU 43 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1bz0 h GLU 43 CO 0.22 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.10 1bz0 n SER 44 N -4.20 0.00 0.00 1.42 3.41 -1.26 -3.51 113.62 109.48 1bz0 n SER 44 Ca -0.02 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1bz0 n SER 44 Cb 0.12 -0.43 0.54 0.00 -0.26 0.00 0.00 64.21 64.18 1bz0 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1bz0 n PHE 45 N -1.43 0.00 -0.17 7.33 3.01 -0.25 -5.02 117.46 120.93 1bz0 n PHE 45 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1bz0 n PHE 45 Cb 0.23 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1bz0 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bz0 n GLY 46 N 1.04 0.88 3.63 1.37 0.00 -1.23 -4.75 105.19 106.13 1bz0 n GLY 46 Ca 0.07 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1bz0 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bz0 s ASP 47 N -4.00 6.46 -0.13 1.61 2.15 -1.26 -4.86 116.67 116.64 1bz0 s ASP 47 Ca 0.00 1.36 0.15 0.00 0.43 0.00 0.00 52.55 54.49 1bz0 s ASP 47 Cb 0.00 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.47 1bz0 s ASP 47 CO 0.00 -1.23 1.19 0.18 -0.17 0.00 0.00 175.17 175.14 1bz0 n LEU 48 N 8.26 2.06 0.08 -1.34 4.77 -1.26 -4.27 117.00 125.31 1bz0 n LEU 48 Ca 0.17 -3.15 -0.01 0.00 -0.03 0.00 0.00 56.01 52.99 1bz0 n LEU 48 Cb 0.46 -0.35 0.26 0.00 -2.33 0.00 0.00 43.42 41.46 1bz0 n LEU 48 CO 0.65 1.03 0.72 0.77 -1.33 0.00 0.00 177.39 179.23 1bz0 h SER 49 N 0.85 0.30 -5.52 -1.43 4.64 -1.91 -3.44 113.55 107.04 1bz0 h SER 49 Ca -0.06 -0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 60.94 1bz0 h SER 49 Cb 1.27 -0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1bz0 h SER 49 CO 0.03 0.60 -0.47 0.42 -0.87 0.00 0.00 176.83 176.54 1bz0 s THR 50 N -4.36 0.00 0.22 2.95 -4.23 -1.26 -5.01 115.64 103.95 1bz0 s THR 50 Ca -0.05 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 1bz0 s THR 50 Cb 0.14 -2.43 0.17 0.00 1.34 0.00 0.00 72.50 71.71 1bz0 s THR 50 CO 0.77 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 176.01 1bz0 h PRO 51 N 2.49 0.71 -0.47 3.99 0.11 -1.98 0.11 132.00 136.96 1bz0 h PRO 51 Ca -0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 1bz0 h PRO 51 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1bz0 h PRO 51 CO 0.47 0.47 0.21 -0.44 -0.21 0.00 0.00 178.00 178.50 1bz0 h ASP 52 N 0.73 0.62 -0.68 -2.05 3.32 -1.98 0.10 116.42 116.50 1bz0 h ASP 52 Ca 0.33 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1bz0 h ASP 52 Cb 0.23 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1bz0 h ASP 52 CO -0.20 0.60 0.22 0.00 -1.72 0.00 0.00 179.24 178.14 1bz0 h ALA 53 N 1.05 0.88 0.12 3.45 0.00 -1.62 -0.86 119.26 122.28 1bz0 h ALA 53 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bz0 h ALA 53 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bz0 h ALA 53 CO -0.02 0.55 -0.06 0.28 0.00 0.00 0.00 179.25 180.01 1bz0 h VAL 54 N 0.98 1.03 -0.22 0.00 2.07 -0.52 -1.97 116.25 117.62 1bz0 h VAL 54 Ca 0.22 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1bz0 h VAL 54 Cb 0.28 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1bz0 h VAL 54 CO -0.01 0.14 0.04 0.24 0.02 0.00 0.00 177.57 178.00 1bz0 h MET 55 N -0.42 0.31 -0.01 1.57 2.07 -0.68 -2.77 114.93 114.99 1bz0 h MET 55 Ca -0.02 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1bz0 h MET 55 Cb 0.34 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.02 1bz0 h MET 55 CO 0.03 0.30 -0.20 0.41 1.07 0.00 0.00 176.91 178.52 1bz0 n GLY 56 N -1.21 -0.56 3.67 8.32 0.00 -0.34 -4.87 105.19 110.19 1bz0 n GLY 56 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1bz0 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bz0 s ASN 57 N -2.42 6.83 0.49 1.61 3.84 -0.75 -4.90 114.94 119.64 1bz0 s ASN 57 Ca 0.27 1.98 0.22 0.00 0.21 0.00 0.00 52.86 55.54 1bz0 s ASN 57 Cb 0.20 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.63 1bz0 s ASN 57 CO 0.49 -0.80 2.04 1.55 -2.79 0.00 0.00 177.10 177.59 1bz0 h PRO 58 N 8.56 0.00 -0.13 0.43 0.13 -1.90 -1.65 132.00 137.43 1bz0 h PRO 58 Ca -0.34 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.57 1bz0 h PRO 58 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bz0 h PRO 58 CO 0.95 0.15 -0.79 0.87 -0.23 0.00 0.00 178.00 178.94 1bz0 h LYS 59 N 0.00 0.73 0.29 0.86 1.57 -1.90 -0.43 116.57 117.69 1bz0 h LYS 59 Ca -0.00 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.15 1bz0 h LYS 59 Cb 0.32 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1bz0 h LYS 59 CO 0.02 1.22 -0.14 0.28 -0.57 0.00 0.00 179.45 180.26 1bz0 h VAL 60 N 0.49 0.73 -0.57 0.50 2.07 -1.79 0.68 116.25 118.37 1bz0 h VAL 60 Ca -0.05 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1bz0 h VAL 60 Cb 1.42 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1bz0 h VAL 60 CO 0.16 0.03 0.26 0.11 0.02 0.00 0.00 177.57 178.15 1bz0 h LYS 61 N -0.45 0.47 -0.79 1.57 1.57 -1.28 0.20 116.57 117.86 1bz0 h LYS 61 Ca -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1bz0 h LYS 61 Cb 0.34 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1bz0 h LYS 61 CO 0.07 0.31 0.42 0.00 -0.57 0.00 0.00 179.45 179.68 1bz0 h ALA 62 N 1.34 1.01 -0.33 3.86 0.00 -0.78 -1.67 119.26 122.70 1bz0 h ALA 62 Ca 0.27 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1bz0 h ALA 62 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bz0 h ALA 62 CO -0.22 0.54 -0.39 1.25 0.00 0.00 0.00 179.25 180.43 1bz0 h HIS 63 N 1.10 0.92 -0.72 0.00 -0.00 -0.42 -2.65 115.15 113.38 1bz0 h HIS 63 Ca 0.28 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1bz0 h HIS 63 Cb 0.05 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 1bz0 h HIS 63 CO 0.00 1.04 0.44 0.78 -0.00 0.00 0.00 177.93 180.19 1bz0 h GLY 64 N 0.91 1.03 1.08 5.26 0.00 -0.20 -0.03 103.07 111.12 1bz0 h GLY 64 Ca 0.05 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1bz0 h GLY 64 CO 0.09 0.40 -0.10 0.50 0.00 0.00 0.00 176.54 177.43 1bz0 h LYS 65 N 0.98 1.01 -0.11 4.80 1.57 -1.11 -0.91 116.57 122.81 1bz0 h LYS 65 Ca 0.26 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1bz0 h LYS 65 Cb -0.05 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1bz0 h LYS 65 CO -0.05 1.06 0.02 -0.22 -0.57 0.00 0.00 179.45 179.69 1bz0 h LYS 66 N 0.89 0.18 0.11 3.15 3.64 -1.09 0.04 116.57 123.49 1bz0 h LYS 66 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1bz0 h LYS 66 Cb 0.67 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1bz0 h LYS 66 CO 0.05 0.36 -0.05 0.28 -2.27 0.00 0.00 179.45 177.82 1bz0 h VAL 67 N -0.04 0.99 0.00 2.00 2.07 -0.96 -2.58 116.25 117.73 1bz0 h VAL 67 Ca 0.03 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1bz0 h VAL 67 Cb 0.27 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1bz0 h VAL 67 CO 0.00 0.09 -0.28 -0.07 0.02 0.00 0.00 177.57 177.33 1bz0 h LEU 68 N -0.31 0.00 -0.60 2.57 -0.00 -1.20 -1.64 115.31 114.14 1bz0 h LEU 68 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 1bz0 h LEU 68 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1bz0 h LEU 68 CO 0.02 0.28 0.03 1.23 -0.00 0.00 0.00 178.44 180.01 1bz0 h GLY 69 N 1.73 1.11 0.91 0.83 0.00 -0.87 0.42 103.07 107.21 1bz0 h GLY 69 Ca -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1bz0 h GLY 69 CO 0.04 0.73 0.10 0.00 0.00 0.00 0.00 176.54 177.41 1bz0 h ALA 70 N 0.99 0.45 -0.39 3.60 0.00 -1.11 -0.98 119.26 121.83 1bz0 h ALA 70 Ca 0.17 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1bz0 h ALA 70 Cb 0.51 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1bz0 h ALA 70 CO 0.02 0.09 -0.01 0.35 0.00 0.00 0.00 179.25 179.70 1bz0 h PHE 71 N 0.40 -0.05 -0.46 0.00 3.04 -1.09 -1.72 116.94 117.06 1bz0 h PHE 71 Ca 0.11 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.13 1bz0 h PHE 71 Cb 0.26 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 1bz0 h PHE 71 CO 0.01 -0.09 0.22 1.03 -2.02 0.00 0.00 178.31 177.46 1bz0 h SER 72 N 0.09 0.31 0.19 0.41 0.87 -0.65 -1.46 113.55 113.31 1bz0 h SER 72 Ca 0.19 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1bz0 h SER 72 Cb 0.27 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1bz0 h SER 72 CO -0.33 0.22 -0.26 0.44 -0.53 0.00 0.00 176.83 176.36 1bz0 h ASP 73 N 0.44 0.12 0.31 6.23 3.32 -0.66 -2.36 116.42 123.81 1bz0 h ASP 73 Ca 0.21 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1bz0 h ASP 73 Cb 0.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1bz0 h ASP 73 CO -0.16 0.39 -0.24 1.23 -1.72 0.00 0.00 179.24 178.75 1bz0 h GLY 74 N 0.91 0.00 2.00 2.75 0.00 -0.39 -2.40 103.07 105.95 1bz0 h GLY 74 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1bz0 h GLY 74 CO 0.04 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.97 1bz0 h LEU 75 N 0.00 0.00 -0.01 3.11 4.07 -1.03 -0.28 115.31 121.17 1bz0 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bz0 h LEU 75 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1bz0 h LEU 75 CO 0.03 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 177.41 1bz0 h ALA 76 N 1.98 1.00 -0.90 1.53 0.00 -1.55 -3.36 119.26 117.97 1bz0 h ALA 76 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1bz0 h ALA 76 Cb 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 17.79 17.53 1bz0 h ALA 76 CO 0.00 0.00 -0.83 0.72 0.00 0.00 0.00 179.25 179.14 1bz0 n HIS 77 N -2.65 2.75 -0.13 0.00 8.25 -0.12 -4.88 115.22 118.45 1bz0 n HIS 77 Ca 0.05 -2.42 0.19 0.00 -0.26 0.00 0.00 57.72 55.28 1bz0 n HIS 77 Cb 0.47 -0.28 0.59 0.00 1.12 0.00 0.00 29.99 31.90 1bz0 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1bz0 h LEU 78 N 2.31 0.22 0.00 2.41 4.07 -1.70 0.13 115.31 122.75 1bz0 h LEU 78 Ca 0.31 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1bz0 h LEU 78 Cb 1.38 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1bz0 h LEU 78 CO 0.73 0.11 -0.13 0.47 -1.08 0.00 0.00 178.44 178.54 1bz0 n ASP 79 N -4.42 0.25 -2.81 -0.43 8.00 -1.26 0.32 116.55 116.19 1bz0 n ASP 79 Ca 0.14 0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.88 1bz0 n ASP 79 Cb 0.64 -0.37 0.02 0.00 -0.02 0.00 0.00 41.12 41.39 1bz0 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bz0 n ASN 80 N -1.65 0.88 -0.20 -2.24 5.15 0.44 -4.61 115.26 113.04 1bz0 n ASN 80 Ca 0.06 -2.81 -0.09 0.00 -0.60 0.00 0.00 54.58 51.15 1bz0 n ASN 80 Cb 0.36 -0.35 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 1bz0 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bz0 h LEU 81 N 2.92 0.88 -0.99 1.20 3.38 -1.65 -1.79 115.31 119.27 1bz0 h LEU 81 Ca -0.06 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1bz0 h LEU 81 Cb 1.13 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1bz0 h LEU 81 CO 0.44 0.92 0.65 0.11 0.09 0.00 0.00 178.44 180.65 1bz0 h LYS 82 N 0.81 1.23 -0.29 1.13 1.57 -1.90 -1.09 116.57 118.04 1bz0 h LYS 82 Ca 0.17 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1bz0 h LYS 82 Cb 0.42 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1bz0 h LYS 82 CO 0.01 0.82 -0.12 0.78 -0.57 0.00 0.00 179.45 180.37 1bz0 h GLY 83 N 1.27 0.63 1.28 3.86 0.00 -1.92 -1.93 103.07 106.26 1bz0 h GLY 83 Ca 0.39 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1bz0 h GLY 83 CO -0.11 0.50 0.44 -0.84 0.00 0.00 0.00 176.54 176.53 1bz0 h THR 84 N 0.33 1.19 -0.40 4.70 2.02 -0.98 -3.17 112.91 116.60 1bz0 h THR 84 Ca 0.07 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1bz0 h THR 84 Cb 0.62 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1bz0 h THR 84 CO 0.04 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.62 1bz0 n PHE 85 N -4.40 0.53 -0.06 3.16 3.72 -0.44 -4.69 117.46 115.27 1bz0 n PHE 85 Ca 0.07 -0.32 -0.08 0.00 -0.05 0.00 0.00 57.45 57.08 1bz0 n PHE 85 Cb 0.06 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1bz0 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bz0 h ALA 86 N 3.67 0.20 -0.58 4.37 0.00 -1.32 0.25 119.26 125.84 1bz0 h ALA 86 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1bz0 h ALA 86 Cb 0.88 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1bz0 h ALA 86 CO 0.00 -0.44 -0.03 1.15 0.00 0.00 0.00 179.25 179.93 1bz0 h THR 87 N 0.05 1.27 -0.19 0.00 2.02 -1.83 -1.92 112.91 112.30 1bz0 h THR 87 Ca 0.12 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.03 1bz0 h THR 87 Cb 0.16 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1bz0 h THR 87 CO -0.21 0.43 -0.26 -0.07 0.37 0.00 0.00 175.52 175.77 1bz0 h LEU 88 N 0.95 0.36 -0.14 2.58 3.38 -1.75 -1.32 115.31 119.37 1bz0 h LEU 88 Ca 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bz0 h LEU 88 Cb 0.59 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1bz0 h LEU 88 CO 0.04 0.63 0.08 -1.28 0.09 0.00 0.00 178.44 177.99 1bz0 h SER 89 N 0.32 0.18 -0.55 -0.43 0.87 -0.11 -0.62 113.55 113.21 1bz0 h SER 89 Ca 0.05 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1bz0 h SER 89 Cb 0.64 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1bz0 h SER 89 CO 0.05 0.21 0.29 -0.33 -0.53 0.00 0.00 176.83 176.52 1bz0 h GLU 90 N 0.13 0.54 -0.19 2.24 5.08 -1.08 -1.77 114.58 119.54 1bz0 h GLU 90 Ca 0.05 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1bz0 h GLU 90 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1bz0 h GLU 90 CO -0.01 0.36 0.09 1.25 -1.00 0.00 0.00 179.01 179.70 1bz0 h LEU 91 N 0.56 0.14 -1.52 1.33 5.85 -1.05 0.11 115.31 120.72 1bz0 h LEU 91 Ca 0.24 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1bz0 h LEU 91 Cb 0.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1bz0 h LEU 91 CO -0.15 0.11 0.07 0.45 -0.34 0.00 0.00 178.44 178.57 1bz0 h HIS 92 N 0.20 0.37 0.07 1.25 3.86 -0.81 -0.74 115.15 119.34 1bz0 h HIS 92 Ca 0.08 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1bz0 h HIS 92 Cb 0.02 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1bz0 h HIS 92 CO -0.09 0.33 -0.03 0.00 0.86 0.00 0.00 177.93 179.00 1bz0 h ASP 94 N -0.94 0.82 0.00 0.00 3.32 -0.81 -3.14 116.42 115.67 1bz0 h ASP 94 Ca -0.01 -0.41 -0.25 0.00 0.02 0.00 0.00 57.03 56.38 1bz0 h ASP 94 Cb 0.07 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1bz0 h ASP 94 CO 0.02 1.16 -1.97 0.29 -1.72 0.00 0.00 179.24 177.02 1bz0 n LYS 95 N -4.01 0.45 0.07 3.56 4.76 -0.38 -4.73 118.16 117.87 1bz0 n LYS 95 Ca -0.03 0.10 0.04 0.00 -2.87 0.00 0.00 58.31 55.55 1bz0 n LYS 95 Cb 0.58 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 1bz0 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bz0 h LEU 96 N 0.00 0.00 -1.32 -0.35 3.38 -1.41 -3.49 115.31 112.12 1bz0 h LEU 96 Ca -0.38 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.22 1bz0 h LEU 96 Cb 1.59 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.48 1bz0 h LEU 96 CO -0.06 0.37 -0.74 1.41 0.09 0.00 0.00 178.44 179.52 1bz0 n HIS 97 N -2.85 -2.45 -3.38 1.13 8.25 -0.27 -4.96 115.22 110.68 1bz0 n HIS 97 Ca -0.05 0.96 -0.39 0.00 -0.26 0.00 0.00 57.72 57.97 1bz0 n HIS 97 Cb 0.73 -4.96 -0.09 0.00 1.12 0.00 0.00 29.99 26.79 1bz0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bz0 s VAL 98 N -3.36 5.16 0.12 1.59 1.01 -0.40 -5.03 120.40 119.48 1bz0 s VAL 98 Ca 0.26 0.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 1bz0 s VAL 98 Cb -0.12 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1bz0 s VAL 98 CO 0.74 0.09 1.71 -0.62 0.00 0.00 0.00 175.10 177.02 1bz0 s ASP 99 N 1.67 6.51 0.36 3.32 -1.08 -1.26 -4.76 116.67 121.42 1bz0 s ASP 99 Ca 0.15 2.65 0.24 0.00 -0.52 0.00 0.00 52.55 55.07 1bz0 s ASP 99 Cb -0.16 -2.57 1.30 0.00 -1.46 0.00 0.00 42.92 40.03 1bz0 s ASP 99 CO 0.10 -0.93 1.75 -0.65 0.52 0.00 0.00 175.17 175.96 1bz0 h PRO 100 N 7.99 0.00 -0.34 4.34 0.11 -1.96 -1.13 132.00 141.00 1bz0 h PRO 100 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1bz0 h PRO 100 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1bz0 h PRO 100 CO 0.94 0.00 0.24 1.49 -0.21 0.00 0.00 178.00 180.45 1bz0 h GLU 101 N 0.00 0.14 -0.68 1.05 4.57 -1.98 -0.75 114.58 116.92 1bz0 h GLU 101 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1bz0 h GLU 101 Cb 0.03 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1bz0 h GLU 101 CO 0.00 0.09 0.45 -0.91 -1.18 0.00 0.00 179.01 177.46 1bz0 h ASN 102 N 0.14 0.68 -0.40 1.04 4.21 -1.57 -1.20 115.58 118.49 1bz0 h ASN 102 Ca 0.15 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.61 1bz0 h ASN 102 Cb 0.43 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 1bz0 h ASN 102 CO -0.02 0.46 0.07 -0.26 -1.29 0.00 0.00 177.43 176.39 1bz0 h PHE 103 N 0.79 0.76 -0.30 1.19 0.04 -1.32 -1.00 116.94 117.10 1bz0 h PHE 103 Ca 0.28 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.84 1bz0 h PHE 103 Cb 0.12 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 1bz0 h PHE 103 CO -0.00 0.67 -0.32 0.00 -0.60 0.00 0.00 178.31 178.06 1bz0 h ARG 104 N 0.70 0.75 -0.37 1.51 3.08 -1.21 -1.57 114.38 117.27 1bz0 h ARG 104 Ca 0.15 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1bz0 h ARG 104 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1bz0 h ARG 104 CO 0.00 1.03 0.21 -0.07 -1.07 0.00 0.00 179.97 180.07 1bz0 h LEU 105 N 0.50 0.46 -0.85 3.04 3.38 -1.18 -1.72 115.31 118.94 1bz0 h LEU 105 Ca 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bz0 h LEU 105 Cb 0.90 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1bz0 h LEU 105 CO 0.08 0.40 0.47 0.25 0.09 0.00 0.00 178.44 179.73 1bz0 h LEU 106 N 0.47 1.05 -0.86 1.67 5.85 -1.13 -0.85 115.31 121.52 1bz0 h LEU 106 Ca 0.13 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1bz0 h LEU 106 Cb 0.04 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1bz0 h LEU 106 CO -0.02 0.85 0.56 1.23 -0.34 0.00 0.00 178.44 180.71 1bz0 h GLY 107 N 1.18 1.21 1.32 3.75 0.00 -0.84 0.17 103.07 109.86 1bz0 h GLY 107 Ca 0.30 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1bz0 h GLY 107 CO -0.05 0.45 -0.42 3.43 0.00 0.00 0.00 176.54 179.95 1bz0 h ASN 108 N 1.16 0.79 -0.54 0.19 2.35 -0.81 -2.08 115.58 116.65 1bz0 h ASN 108 Ca 0.31 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1bz0 h ASN 108 Cb -0.12 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 1bz0 h ASN 108 CO -0.07 1.11 -0.01 0.58 -1.65 0.00 0.00 177.43 177.39 1bz0 h VAL 109 N 0.60 1.26 -0.48 2.81 2.07 -0.83 -2.36 116.25 119.32 1bz0 h VAL 109 Ca 0.04 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1bz0 h VAL 109 Cb 0.97 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1bz0 h VAL 109 CO 0.09 0.41 0.30 0.25 0.02 0.00 0.00 177.57 178.64 1bz0 h LEU 110 N 0.91 0.56 -0.78 2.57 5.85 -0.48 -0.22 115.31 123.72 1bz0 h LEU 110 Ca 0.16 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1bz0 h LEU 110 Cb 0.55 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1bz0 h LEU 110 CO 0.03 0.43 0.50 0.58 -0.34 0.00 0.00 178.44 179.64 1bz0 h VAL 111 N 0.64 1.13 -0.73 1.05 2.07 -1.20 -0.33 116.25 118.89 1bz0 h VAL 111 Ca 0.17 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1bz0 h VAL 111 Cb -0.04 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1bz0 h VAL 111 CO -0.03 0.18 0.23 0.00 0.02 0.00 0.00 177.57 177.96 1bz0 h VAL 113 N 1.08 1.21 -0.77 0.00 2.07 -0.46 0.11 116.25 119.50 1bz0 h VAL 113 Ca 0.24 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1bz0 h VAL 113 Cb 0.30 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1bz0 h VAL 113 CO -0.01 0.25 0.34 -0.07 0.02 0.00 0.00 177.57 178.10 1bz0 h LEU 114 N 0.64 1.04 -0.38 2.57 3.38 -0.84 0.14 115.31 121.87 1bz0 h LEU 114 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bz0 h LEU 114 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1bz0 h LEU 114 CO -0.01 0.90 0.22 0.00 0.09 0.00 0.00 178.44 179.64 1bz0 h ALA 115 N 1.18 0.48 -0.57 1.53 0.00 -0.76 0.94 119.26 122.05 1bz0 h ALA 115 Ca 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1bz0 h ALA 115 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bz0 h ALA 115 CO -0.03 -0.02 0.15 1.25 0.00 0.00 0.00 179.25 180.61 1bz0 h HIS 116 N 0.49 0.95 -0.45 0.00 -0.00 -0.51 -0.65 115.15 114.98 1bz0 h HIS 116 Ca 0.13 -0.11 -0.12 0.00 -0.00 0.00 0.00 60.37 60.28 1bz0 h HIS 116 Cb 0.02 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 1bz0 h HIS 116 CO -0.03 0.81 -0.20 0.45 -0.00 0.00 0.00 177.93 178.95 1bz0 h HIS 117 N 0.82 1.02 0.00 5.26 -0.00 -0.47 -3.34 115.15 118.44 1bz0 h HIS 117 Ca 0.18 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1bz0 h HIS 117 Cb 0.32 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1bz0 h HIS 117 CO 0.02 1.01 -1.04 1.19 -0.00 0.00 0.00 177.93 179.11 1bz0 n PHE 118 N -4.12 0.00 -1.73 2.45 3.72 0.30 -5.06 117.46 113.02 1bz0 n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1bz0 n PHE 118 Cb 0.44 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1bz0 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bz0 n GLY 119 N 1.44 3.07 0.34 1.37 0.00 -0.26 -1.92 105.19 109.24 1bz0 n GLY 119 Ca 0.03 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1bz0 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bz0 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.96 116.57 119.27 1bz0 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1bz0 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bz0 h LYS 120 CO 0.00 0.00 -0.03 0.93 -2.00 0.00 0.00 179.45 178.35 1bz0 h GLU 121 N 0.00 0.00 -3.80 0.07 5.08 -1.78 -3.32 114.58 110.84 1bz0 h GLU 121 Ca 0.07 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.69 1bz0 h GLU 121 Cb 0.55 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1bz0 h GLU 121 CO -0.00 0.03 2.09 0.34 -1.00 0.00 0.00 179.01 180.47 1bz0 n PHE 122 N -3.15 3.33 -1.16 4.33 7.35 0.33 -4.93 117.46 123.57 1bz0 n PHE 122 Ca -0.00 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.51 1bz0 n PHE 122 Cb 0.29 -2.08 0.15 0.00 0.35 0.00 0.00 39.48 38.19 1bz0 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bz0 s THR 123 N 1.01 2.47 0.22 -2.13 -4.23 -1.25 -4.68 115.64 107.05 1bz0 s THR 123 Ca 0.41 0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1bz0 s THR 123 Cb 0.08 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.50 1bz0 s THR 123 CO -0.01 -0.20 1.72 -0.65 -0.54 0.00 0.00 174.62 174.94 1bz0 h PRO 124 N -1.69 0.32 -0.47 3.99 0.11 -1.93 0.14 132.00 132.47 1bz0 h PRO 124 Ca -0.51 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1bz0 h PRO 124 Cb 1.30 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1bz0 h PRO 124 CO 0.55 0.21 -0.14 -1.35 -0.21 0.00 0.00 178.00 177.06 1bz0 h PRO 125 N 0.33 0.88 -0.53 1.05 0.11 -1.99 -1.52 132.00 130.33 1bz0 h PRO 125 Ca 0.35 -0.32 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 1bz0 h PRO 125 Cb 0.51 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1bz0 h PRO 125 CO -0.40 0.96 -0.06 0.28 -0.21 0.00 0.00 178.00 178.58 1bz0 h VAL 126 N 0.78 1.27 -0.24 3.15 2.07 -1.69 -2.15 116.25 119.44 1bz0 h VAL 126 Ca 0.12 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1bz0 h VAL 126 Cb 0.66 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1bz0 h VAL 126 CO 0.05 0.42 0.02 -0.61 0.02 0.00 0.00 177.57 177.47 1bz0 h GLN 127 N 0.85 0.10 -0.82 1.57 4.15 -0.52 -1.16 115.11 119.29 1bz0 h GLN 127 Ca 0.14 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.68 1bz0 h GLN 127 Cb 0.61 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.19 1bz0 h GLN 127 CO 0.04 0.07 0.43 0.00 -1.93 0.00 0.00 178.83 177.44 1bz0 h ALA 128 N 1.19 1.20 -0.18 3.38 0.00 -1.00 0.20 119.26 124.04 1bz0 h ALA 128 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1bz0 h ALA 128 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bz0 h ALA 128 CO -0.16 -0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.13 1bz0 h ALA 129 N 1.50 0.23 -0.36 0.00 0.00 -1.03 -2.32 119.26 117.28 1bz0 h ALA 129 Ca 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1bz0 h ALA 129 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bz0 h ALA 129 CO -0.31 -0.17 0.07 1.88 0.00 0.00 0.00 179.25 180.73 1bz0 h TYR 130 N 0.12 0.53 -0.59 0.00 0.05 -0.38 -2.16 116.97 114.54 1bz0 h TYR 130 Ca 0.06 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1bz0 h TYR 130 Cb 0.20 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1bz0 h TYR 130 CO -0.01 0.47 0.39 1.96 -1.05 0.00 0.00 178.16 179.93 1bz0 h GLN 131 N 0.51 0.78 -0.53 4.88 1.08 -0.38 0.61 115.11 122.07 1bz0 h GLN 131 Ca 0.12 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1bz0 h GLN 131 Cb 0.22 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1bz0 h GLN 131 CO -0.00 0.52 0.30 0.87 -0.95 0.00 0.00 178.83 179.57 1bz0 h LYS 132 N 0.80 0.73 -0.01 1.46 1.57 -0.98 -1.31 116.57 118.83 1bz0 h LYS 132 Ca 0.22 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bz0 h LYS 132 Cb -0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1bz0 h LYS 132 CO -0.05 0.55 0.00 0.28 -0.57 0.00 0.00 179.45 179.67 1bz0 h VAL 133 N 0.71 1.13 -0.22 0.50 2.07 -0.98 0.20 116.25 119.66 1bz0 h VAL 133 Ca 0.19 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1bz0 h VAL 133 Cb 0.02 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1bz0 h VAL 133 CO -0.03 0.10 -0.14 -0.37 0.02 0.00 0.00 177.57 177.15 1bz0 h VAL 134 N -0.14 1.21 -0.40 2.57 -1.51 -0.76 0.41 116.25 117.63 1bz0 h VAL 134 Ca 0.00 -0.93 -0.15 0.00 -1.23 0.00 0.00 66.70 64.38 1bz0 h VAL 134 Cb 0.16 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1bz0 h VAL 134 CO -0.00 0.30 -0.35 0.00 -1.23 0.00 0.00 177.57 176.29 1bz0 h ALA 135 N 1.52 0.61 -0.50 5.19 0.00 -1.10 -1.63 119.26 123.36 1bz0 h ALA 135 Ca 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1bz0 h ALA 135 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bz0 h ALA 135 CO 0.03 0.68 0.25 0.78 0.00 0.00 0.00 179.25 180.99 1bz0 h GLY 136 N 0.81 0.76 0.94 0.00 0.00 -0.27 -0.78 103.07 104.53 1bz0 h GLY 136 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1bz0 h GLY 136 CO 0.09 0.35 0.00 -2.08 0.00 0.00 0.00 176.54 174.90 1bz0 h VAL 137 N 0.66 1.26 -0.72 4.60 2.07 -0.91 -0.42 116.25 122.78 1bz0 h VAL 137 Ca 0.17 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1bz0 h VAL 137 Cb 0.09 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1bz0 h VAL 137 CO -0.02 0.33 0.46 0.00 0.02 0.00 0.00 177.57 178.36 1bz0 h ALA 138 N 0.88 0.92 -0.44 1.67 0.00 -1.03 0.00 119.26 121.26 1bz0 h ALA 138 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1bz0 h ALA 138 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1bz0 h ALA 138 CO 0.02 0.37 0.11 -0.91 0.00 0.00 0.00 179.25 178.84 1bz0 h ASN 139 N 0.98 0.66 -0.65 0.00 2.35 -1.06 -1.56 115.58 116.31 1bz0 h ASN 139 Ca 0.26 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1bz0 h ASN 139 Cb -0.07 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1bz0 h ASN 139 CO -0.05 0.72 0.22 0.00 -1.65 0.00 0.00 177.43 176.67 1bz0 h ALA 140 N 0.97 1.12 0.00 -0.83 0.00 -0.52 -1.90 119.26 118.09 1bz0 h ALA 140 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1bz0 h ALA 140 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bz0 h ALA 140 CO 0.00 0.61 -0.26 -0.07 0.00 0.00 0.00 179.25 179.53 1bz0 h LEU 141 N 0.99 0.00 0.00 0.00 3.38 -0.81 -3.14 115.31 115.74 1bz0 h LEU 141 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1bz0 h LEU 141 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bz0 h LEU 141 CO -0.01 0.26 -0.73 0.00 0.09 0.00 0.00 178.44 178.05 1bz0 n ALA 142 N -2.23 3.60 -0.35 1.53 0.00 -0.60 -4.41 120.51 118.05 1bz0 n ALA 142 Ca 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.16 1bz0 n ALA 142 Cb 0.47 -1.04 0.29 0.00 0.00 0.00 0.00 19.45 19.17 1bz0 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bz0 h HIS 143 N 0.00 1.08 -0.41 0.00 6.17 -1.30 -2.41 115.15 118.27 1bz0 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1bz0 h HIS 143 Cb 0.59 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1bz0 h HIS 143 CO 0.00 0.36 0.00 1.63 0.71 0.00 0.00 177.93 180.63 1bz0 n LYS 144 N -4.66 2.16 -2.08 5.26 4.76 -1.26 -4.93 118.16 117.40 1bz0 n LYS 144 Ca 0.20 -1.78 -0.40 0.00 -2.87 0.00 0.00 58.31 53.47 1bz0 n LYS 144 Cb 0.45 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 1bz0 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1bz0 s TYR 145 N -1.46 2.90 0.00 2.13 1.51 -0.91 -4.77 117.35 116.75 1bz0 s TYR 145 Ca 0.35 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 1bz0 s TYR 145 Cb 0.19 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 1bz0 s TYR 145 CO 0.26 -1.98 0.00 -2.39 -1.11 0.00 0.00 175.55 170.32