#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz1 s HIS 2 N 0.00 2.44 -0.02 6.34 5.04 -1.26 -4.67 115.29 123.16 1bz1 s HIS 2 Ca 0.00 -0.17 0.05 0.00 -1.54 0.00 0.00 55.06 53.41 1bz1 s HIS 2 Cb 0.00 -4.50 -0.01 0.00 0.04 0.00 0.00 32.58 28.11 1bz1 s HIS 2 CO 0.00 -1.89 -0.18 -0.51 -2.34 0.00 0.00 174.74 169.81 1bz1 s LEU 3 N 5.13 2.02 0.83 8.88 1.43 -1.26 -5.10 118.68 130.61 1bz1 s LEU 3 Ca 0.31 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 1bz1 s LEU 3 Cb -0.11 -0.95 0.09 0.00 0.03 0.00 0.00 46.19 45.25 1bz1 s LEU 3 CO 0.14 0.22 1.10 0.42 0.23 0.00 0.00 176.35 178.46 1bz1 s THR 4 N -0.38 2.87 0.46 5.49 -4.23 -1.26 -4.77 115.64 113.83 1bz1 s THR 4 Ca 0.06 0.28 0.21 0.00 -1.18 0.00 0.00 61.69 61.06 1bz1 s THR 4 Cb -0.08 -2.95 0.40 0.00 1.34 0.00 0.00 72.50 71.21 1bz1 s THR 4 CO -0.00 -0.37 1.90 -0.65 -0.54 0.00 0.00 174.62 174.96 1bz1 h PRO 5 N -1.25 0.25 -0.26 3.99 0.11 -2.00 -0.91 132.00 131.93 1bz1 h PRO 5 Ca -0.48 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1bz1 h PRO 5 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1bz1 h PRO 5 CO 0.58 0.16 -0.11 0.93 -0.21 0.00 0.00 178.00 179.35 1bz1 h GLU 6 N 0.25 0.53 -0.37 1.05 3.07 -1.99 -2.01 114.58 115.10 1bz1 h GLU 6 Ca 0.40 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1bz1 h GLU 6 Cb 1.18 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1bz1 h GLU 6 CO -0.10 0.78 -0.02 0.93 -1.40 0.00 0.00 179.01 179.20 1bz1 h GLU 7 N 0.26 0.67 0.03 2.33 5.08 -1.64 -1.33 114.58 119.98 1bz1 h GLU 7 Ca 0.06 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1bz1 h GLU 7 Cb 0.61 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1bz1 h GLU 7 CO 0.04 0.79 -0.08 0.87 -1.00 0.00 0.00 179.01 179.63 1bz1 h LYS 8 N 0.48 -0.14 -0.36 2.33 1.57 -1.13 -1.43 116.57 117.89 1bz1 h LYS 8 Ca 0.10 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1bz1 h LYS 8 Cb 0.50 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1bz1 h LYS 8 CO 0.02 -0.10 0.13 0.77 -0.57 0.00 0.00 179.45 179.71 1bz1 h SER 9 N -0.15 0.45 -0.41 0.86 0.02 -1.23 -0.98 113.55 112.12 1bz1 h SER 9 Ca 0.02 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1bz1 h SER 9 Cb 0.17 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1bz1 h SER 9 CO -0.06 0.42 0.04 0.00 -1.14 0.00 0.00 176.83 176.09 1bz1 h ALA 10 N 1.65 0.54 0.31 3.77 0.00 -0.91 0.30 119.26 124.92 1bz1 h ALA 10 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1bz1 h ALA 10 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bz1 h ALA 10 CO -0.01 0.28 -0.15 0.28 0.00 0.00 0.00 179.25 179.65 1bz1 h VAL 11 N 0.53 0.72 -0.61 0.00 2.07 -0.62 -2.43 116.25 115.91 1bz1 h VAL 11 Ca 0.12 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1bz1 h VAL 11 Cb 0.41 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1bz1 h VAL 11 CO 0.01 0.06 0.35 0.74 0.02 0.00 0.00 177.57 178.75 1bz1 h THR 12 N -0.56 1.01 -0.19 2.57 2.02 -1.19 -1.83 112.91 114.75 1bz1 h THR 12 Ca -0.04 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1bz1 h THR 12 Cb 0.41 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1bz1 h THR 12 CO 0.07 0.12 0.10 0.00 0.37 0.00 0.00 175.52 176.18 1bz1 h ALA 13 N 1.30 0.24 -0.61 6.16 0.00 -0.87 -2.46 119.26 123.02 1bz1 h ALA 13 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1bz1 h ALA 13 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1bz1 h ALA 13 CO -0.14 -0.21 -0.00 1.25 0.00 0.00 0.00 179.25 180.15 1bz1 h LEU 14 N 0.19 1.07 -1.71 0.00 6.46 -1.30 -3.07 115.31 116.95 1bz1 h LEU 14 Ca 0.07 -0.31 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 1bz1 h LEU 14 Cb 0.10 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 1bz1 h LEU 14 CO -0.01 1.11 0.27 -0.25 -0.62 0.00 0.00 178.44 178.94 1bz1 h TRP 15 N 0.99 0.36 0.00 1.25 2.91 -1.19 -0.03 115.95 120.24 1bz1 h TRP 15 Ca 0.17 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 1bz1 h TRP 15 Cb 0.57 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 1bz1 h TRP 15 CO 0.04 0.21 0.00 0.78 -1.03 0.00 0.00 178.44 178.44 1bz1 h GLY 16 N 0.38 0.00 -0.48 2.65 0.00 -1.34 -1.68 103.07 102.59 1bz1 h GLY 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1bz1 h GLY 16 CO -0.04 0.00 -0.44 0.28 0.00 0.00 0.00 176.54 176.34 1bz1 n LYS 17 N -2.98 0.98 -2.74 4.80 5.02 -0.03 -4.96 118.16 118.25 1bz1 n LYS 17 Ca -0.02 -0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 55.12 1bz1 n LYS 17 Cb 0.13 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1bz1 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bz1 s VAL 18 N -2.53 4.54 -0.59 -0.18 1.01 -0.64 -5.01 120.40 117.01 1bz1 s VAL 18 Ca 0.19 2.05 -0.21 0.00 0.00 0.00 0.00 61.98 64.02 1bz1 s VAL 18 Cb 0.18 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.33 1bz1 s VAL 18 CO 0.58 0.30 0.79 0.21 0.00 0.00 0.00 175.10 176.99 1bz1 s ASN 19 N 0.09 6.20 0.23 3.32 3.84 -1.26 -4.93 114.94 122.43 1bz1 s ASN 19 Ca 0.47 -1.07 -0.07 0.00 0.21 0.00 0.00 52.86 52.40 1bz1 s ASN 19 Cb -0.23 -2.35 0.32 0.00 -0.55 0.00 0.00 41.25 38.44 1bz1 s ASN 19 CO 0.29 -1.18 1.81 0.58 -2.79 0.00 0.00 177.10 175.81 1bz1 h VAL 20 N 5.94 0.95 -0.29 -5.21 2.07 -1.94 -0.29 116.25 117.47 1bz1 h VAL 20 Ca -0.28 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1bz1 h VAL 20 Cb 1.08 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bz1 h VAL 20 CO 1.10 0.14 0.09 0.44 0.02 0.00 0.00 177.57 179.35 1bz1 h ASP 21 N 0.77 0.43 0.41 0.57 3.32 -1.91 -0.04 116.42 119.96 1bz1 h ASP 21 Ca 0.35 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1bz1 h ASP 21 Cb 0.26 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1bz1 h ASP 21 CO -0.21 0.53 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.56 1bz1 h GLU 22 N 0.31 -0.53 -0.44 3.56 4.81 -1.85 -1.96 114.58 118.48 1bz1 h GLU 22 Ca 0.09 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1bz1 h GLU 22 Cb 0.25 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1bz1 h GLU 22 CO -0.00 -0.31 0.26 0.28 -0.73 0.00 0.00 179.01 178.51 1bz1 h VAL 23 N -0.63 1.13 0.13 0.32 2.07 -1.07 -1.96 116.25 116.23 1bz1 h VAL 23 Ca -0.06 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1bz1 h VAL 23 Cb 0.47 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1bz1 h VAL 23 CO 0.09 0.13 -0.06 1.23 0.02 0.00 0.00 177.57 178.98 1bz1 h GLY 24 N 0.64 -0.19 0.90 2.17 0.00 -0.73 0.82 103.07 106.68 1bz1 h GLY 24 Ca 0.16 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.58 1bz1 h GLY 24 CO -0.03 -0.07 0.45 -1.33 0.00 0.00 0.00 176.54 175.57 1bz1 h GLY 25 N -0.21 1.02 0.83 4.60 0.00 -1.16 -1.51 103.07 106.65 1bz1 h GLY 25 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1bz1 h GLY 25 CO 0.03 0.31 0.03 0.83 0.00 0.00 0.00 176.54 177.74 1bz1 h GLU 26 N 0.90 0.23 -0.36 4.80 4.39 -1.17 -0.97 114.58 122.39 1bz1 h GLU 26 Ca 0.28 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1bz1 h GLU 26 Cb -0.01 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1bz1 h GLU 26 CO -0.10 0.39 0.05 0.00 -1.16 0.00 0.00 179.01 178.19 1bz1 h ALA 27 N 0.83 0.48 -0.39 3.43 0.00 -0.71 -0.05 119.26 122.86 1bz1 h ALA 27 Ca 0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1bz1 h ALA 27 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bz1 h ALA 27 CO 0.00 0.20 -0.36 1.25 0.00 0.00 0.00 179.25 180.34 1bz1 h LEU 28 N 0.44 0.97 -0.32 0.00 5.85 -1.29 -0.92 115.31 120.04 1bz1 h LEU 28 Ca 0.11 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1bz1 h LEU 28 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1bz1 h LEU 28 CO 0.01 1.22 0.15 1.23 -0.34 0.00 0.00 178.44 180.71 1bz1 h GLY 29 N 0.82 0.50 1.43 3.75 0.00 -1.05 -2.36 103.07 106.16 1bz1 h GLY 29 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1bz1 h GLY 29 CO 0.09 0.24 0.13 3.21 0.00 0.00 0.00 176.54 180.21 1bz1 h ARG 30 N 0.39 0.72 -0.33 4.80 3.08 -0.91 -1.14 114.38 120.99 1bz1 h ARG 30 Ca 0.11 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1bz1 h ARG 30 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1bz1 h ARG 30 CO -0.01 0.65 0.16 1.25 -1.07 0.00 0.00 179.97 180.94 1bz1 h LEU 31 N 0.70 0.23 -1.39 3.04 5.85 -0.82 0.11 115.31 123.04 1bz1 h LEU 31 Ca 0.16 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1bz1 h LEU 31 Cb 0.24 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1bz1 h LEU 31 CO -0.01 0.18 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.02 1bz1 h LEU 32 N 0.33 0.00 0.02 2.25 4.07 -0.88 -0.52 115.31 120.58 1bz1 h LEU 32 Ca 0.14 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.97 1bz1 h LEU 32 Cb 0.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1bz1 h LEU 32 CO -0.10 0.18 -0.66 0.58 -1.08 0.00 0.00 178.44 177.36 1bz1 h VAL 33 N 0.00 1.37 -0.15 1.22 2.07 -0.90 -3.32 116.25 116.53 1bz1 h VAL 33 Ca -0.00 -2.30 -0.20 0.00 0.82 0.00 0.00 66.70 65.02 1bz1 h VAL 33 Cb 0.61 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1bz1 h VAL 33 CO 0.02 0.51 -0.71 0.58 0.02 0.00 0.00 177.57 178.00 1bz1 h VAL 34 N -0.89 1.31 -2.79 2.57 2.07 -0.79 -3.36 116.25 114.37 1bz1 h VAL 34 Ca -0.17 -1.97 -0.61 0.00 0.82 0.00 0.00 66.70 64.77 1bz1 h VAL 34 Cb 1.23 1.95 -0.41 0.00 -1.52 0.00 0.00 31.29 32.53 1bz1 h VAL 34 CO -0.06 0.62 -0.68 -1.22 0.02 0.00 0.00 177.57 176.24 1bz1 n TYR 35 N -3.92 2.25 0.17 1.57 4.01 -0.21 -4.99 117.16 116.04 1bz1 n TYR 35 Ca -0.06 -4.05 0.19 0.00 -0.16 0.00 0.00 57.90 53.82 1bz1 n TYR 35 Cb 0.71 -0.41 0.80 0.00 -0.31 0.00 0.00 39.34 40.12 1bz1 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bz1 h PRO 36 N 5.25 0.00 0.00 -0.72 0.13 -1.73 -1.74 132.00 133.19 1bz1 h PRO 36 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1bz1 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1bz1 h PRO 36 CO 0.65 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.51 1bz1 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.84 115.95 114.84 1bz1 h TRP 37 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.11 1bz1 h TRP 37 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.03 1bz1 h TRP 37 CO 0.00 0.01 0.00 0.25 0.09 0.00 0.00 178.44 178.79 1bz1 n THR 38 N -3.47 0.90 0.39 0.12 -2.24 -0.66 -2.38 114.28 106.94 1bz1 n THR 38 Ca -0.03 0.25 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 1bz1 n THR 38 Cb 0.10 -1.12 0.45 0.00 -2.10 0.00 0.00 70.33 67.66 1bz1 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bz1 n GLN 39 N -2.00 0.15 0.10 -0.78 6.02 -0.32 -3.64 117.38 116.91 1bz1 n GLN 39 Ca 0.02 0.41 0.19 0.00 -0.01 0.00 0.00 57.00 57.62 1bz1 n GLN 39 Cb 0.20 -1.80 0.75 0.00 1.02 0.00 0.00 30.24 30.42 1bz1 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1bz1 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.68 -1.13 114.38 110.59 1bz1 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bz1 h ARG 40 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1bz1 h ARG 40 CO 0.00 0.00 -0.52 1.19 0.10 0.00 0.00 179.97 180.74 1bz1 n PHE 41 N -3.95 0.18 -1.15 4.08 3.72 -1.24 -4.41 117.46 114.70 1bz1 n PHE 41 Ca 0.06 0.05 0.05 0.00 -0.05 0.00 0.00 57.45 57.57 1bz1 n PHE 41 Cb 0.53 -0.40 0.22 0.00 -0.94 0.00 0.00 39.48 38.88 1bz1 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bz1 n PHE 42 N -1.70 0.78 0.28 1.38 3.72 -0.43 -4.72 117.46 116.76 1bz1 n PHE 42 Ca 0.05 -1.12 0.12 0.00 -0.05 0.00 0.00 57.45 56.46 1bz1 n PHE 42 Cb 0.37 -0.33 0.81 0.00 -0.94 0.00 0.00 39.48 39.39 1bz1 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bz1 h GLU 43 N 1.22 0.00 0.00 -1.08 5.08 -1.77 -0.84 114.58 117.19 1bz1 h GLU 43 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1bz1 h GLU 43 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1bz1 h GLU 43 CO 0.22 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.10 1bz1 n SER 44 N -4.12 0.00 0.04 1.42 3.41 -1.26 -3.58 113.62 109.53 1bz1 n SER 44 Ca -0.03 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1bz1 n SER 44 Cb 0.10 -0.48 0.49 0.00 -0.26 0.00 0.00 64.21 64.05 1bz1 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1bz1 n PHE 45 N -1.48 0.32 -0.04 7.33 3.01 -0.32 -5.03 117.46 121.25 1bz1 n PHE 45 Ca 0.06 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1bz1 n PHE 45 Cb 0.25 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 1bz1 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bz1 n GLY 46 N 0.94 1.10 3.62 1.37 0.00 -1.23 -4.76 105.19 106.23 1bz1 n GLY 46 Ca 0.05 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1bz1 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bz1 s ASP 47 N -4.00 6.40 -0.11 1.61 2.15 -1.26 -4.85 116.67 116.61 1bz1 s ASP 47 Ca 0.00 1.43 0.16 0.00 0.43 0.00 0.00 52.55 54.57 1bz1 s ASP 47 Cb 0.00 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.47 1bz1 s ASP 47 CO 0.00 -1.27 1.18 0.18 -0.17 0.00 0.00 175.17 175.08 1bz1 n LEU 48 N 8.46 1.85 0.12 -1.34 4.77 -1.26 -4.26 117.00 125.34 1bz1 n LEU 48 Ca 0.18 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1bz1 n LEU 48 Cb 0.46 -0.29 0.30 0.00 -2.33 0.00 0.00 43.42 41.56 1bz1 n LEU 48 CO 0.65 0.93 0.72 0.77 -1.33 0.00 0.00 177.39 179.13 1bz1 h SER 49 N 0.84 0.17 -5.44 -1.43 4.64 -1.91 -3.44 113.55 106.98 1bz1 h SER 49 Ca -0.08 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.00 1bz1 h SER 49 Cb 1.36 -0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 63.27 1bz1 h SER 49 CO 0.04 0.51 -0.47 0.42 -0.87 0.00 0.00 176.83 176.45 1bz1 s THR 50 N -4.29 0.03 0.23 2.95 -4.23 -1.26 -5.01 115.64 104.06 1bz1 s THR 50 Ca -0.04 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1bz1 s THR 50 Cb 0.14 -2.25 0.19 0.00 1.34 0.00 0.00 72.50 71.92 1bz1 s THR 50 CO 0.75 -0.13 1.83 -0.65 -0.54 0.00 0.00 174.62 175.88 1bz1 h PRO 51 N 2.58 0.82 -0.55 3.99 0.11 -1.98 0.31 132.00 137.27 1bz1 h PRO 51 Ca -0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1bz1 h PRO 51 Cb 1.24 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1bz1 h PRO 51 CO 0.50 0.54 0.30 -0.44 -0.21 0.00 0.00 178.00 178.69 1bz1 h ASP 52 N 0.84 0.68 -0.43 -2.05 3.32 -1.98 0.21 116.42 117.01 1bz1 h ASP 52 Ca 0.36 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 1bz1 h ASP 52 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1bz1 h ASP 52 CO -0.19 0.58 -0.21 0.00 -1.72 0.00 0.00 179.24 177.69 1bz1 h ALA 53 N 1.13 0.75 0.23 3.45 0.00 -1.52 -1.07 119.26 122.23 1bz1 h ALA 53 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1bz1 h ALA 53 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1bz1 h ALA 53 CO -0.03 0.66 -0.11 0.28 0.00 0.00 0.00 179.25 180.05 1bz1 h VAL 54 N 0.81 0.84 -0.39 0.00 2.07 -0.09 -1.93 116.25 117.55 1bz1 h VAL 54 Ca 0.11 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1bz1 h VAL 54 Cb 0.77 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1bz1 h VAL 54 CO 0.06 0.10 0.24 0.24 0.02 0.00 0.00 177.57 178.23 1bz1 h MET 55 N -0.53 0.53 -0.00 1.57 2.07 -0.52 -2.90 114.93 115.15 1bz1 h MET 55 Ca -0.03 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1bz1 h MET 55 Cb 0.39 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1bz1 h MET 55 CO 0.05 0.37 -0.29 0.41 1.07 0.00 0.00 176.91 178.52 1bz1 n GLY 56 N -1.42 -1.08 3.66 8.32 0.00 -0.41 -4.86 105.19 109.39 1bz1 n GLY 56 Ca 0.03 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1bz1 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bz1 s ASN 57 N -2.78 6.76 0.52 1.61 3.84 -0.73 -4.89 114.94 119.27 1bz1 s ASN 57 Ca 0.18 2.02 0.23 0.00 0.21 0.00 0.00 52.86 55.51 1bz1 s ASN 57 Cb 0.19 -2.53 1.40 0.00 -0.55 0.00 0.00 41.25 39.75 1bz1 s ASN 57 CO 0.59 -0.87 2.10 1.55 -2.79 0.00 0.00 177.10 177.67 1bz1 h PRO 58 N 9.08 0.00 -0.14 0.43 0.13 -1.90 -1.54 132.00 138.06 1bz1 h PRO 58 Ca -0.34 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.60 1bz1 h PRO 58 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bz1 h PRO 58 CO 0.96 0.10 -0.63 0.87 -0.23 0.00 0.00 178.00 179.07 1bz1 h LYS 59 N 0.00 0.67 0.28 0.86 1.57 -1.90 -0.36 116.57 117.69 1bz1 h LYS 59 Ca -0.00 -0.54 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1bz1 h LYS 59 Cb 0.22 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1bz1 h LYS 59 CO 0.01 1.16 -0.13 0.28 -0.57 0.00 0.00 179.45 180.20 1bz1 h VAL 60 N 0.35 0.73 -0.53 0.50 2.07 -1.78 0.14 116.25 117.73 1bz1 h VAL 60 Ca -0.04 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1bz1 h VAL 60 Cb 1.27 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1bz1 h VAL 60 CO 0.13 0.01 0.16 0.11 0.02 0.00 0.00 177.57 178.00 1bz1 h LYS 61 N -0.40 0.31 -0.68 1.57 1.57 -1.29 0.33 116.57 117.98 1bz1 h LYS 61 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1bz1 h LYS 61 Cb 0.30 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1bz1 h LYS 61 CO 0.06 0.20 0.35 0.00 -0.57 0.00 0.00 179.45 179.50 1bz1 h ALA 62 N 1.38 0.88 -0.36 3.86 0.00 -0.65 -1.81 119.26 122.56 1bz1 h ALA 62 Ca 0.26 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1bz1 h ALA 62 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bz1 h ALA 62 CO -0.30 0.42 -0.24 1.25 0.00 0.00 0.00 179.25 180.38 1bz1 h HIS 63 N 0.94 0.81 -0.87 0.00 -0.00 -0.19 -2.73 115.15 113.12 1bz1 h HIS 63 Ca 0.24 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1bz1 h HIS 63 Cb 0.08 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 1bz1 h HIS 63 CO -0.00 0.89 0.52 0.78 -0.00 0.00 0.00 177.93 180.11 1bz1 h GLY 64 N 0.98 1.27 1.03 5.26 0.00 0.14 -0.25 103.07 111.49 1bz1 h GLY 64 Ca 0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1bz1 h GLY 64 CO 0.06 0.52 0.10 0.50 0.00 0.00 0.00 176.54 177.72 1bz1 h LYS 65 N 1.20 0.98 -0.02 4.80 1.57 -1.12 -0.80 116.57 123.17 1bz1 h LYS 65 Ca 0.31 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1bz1 h LYS 65 Cb -0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1bz1 h LYS 65 CO -0.06 0.92 0.01 -0.22 -0.57 0.00 0.00 179.45 179.53 1bz1 h LYS 66 N 0.88 0.04 0.32 3.15 3.64 -1.17 0.86 116.57 124.29 1bz1 h LYS 66 Ca 0.18 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1bz1 h LYS 66 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1bz1 h LYS 66 CO 0.01 0.16 -0.16 0.28 -2.27 0.00 0.00 179.45 177.47 1bz1 h VAL 67 N -0.09 0.70 0.00 2.00 2.07 -0.98 -2.68 116.25 117.26 1bz1 h VAL 67 Ca 0.01 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1bz1 h VAL 67 Cb 0.13 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1bz1 h VAL 67 CO -0.00 0.06 -0.27 -0.07 0.02 0.00 0.00 177.57 177.31 1bz1 h LEU 68 N -0.58 0.00 -0.66 2.57 -0.00 -1.15 -1.73 115.31 113.76 1bz1 h LEU 68 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 1bz1 h LEU 68 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 1bz1 h LEU 68 CO 0.07 0.27 -0.14 1.23 -0.00 0.00 0.00 178.44 179.87 1bz1 h GLY 69 N 1.47 0.97 0.89 0.83 0.00 -0.76 1.00 103.07 107.48 1bz1 h GLY 69 Ca -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1bz1 h GLY 69 CO 0.03 0.72 0.06 0.00 0.00 0.00 0.00 176.54 177.35 1bz1 h ALA 70 N 1.04 0.40 -0.29 3.60 0.00 -1.10 -1.00 119.26 121.90 1bz1 h ALA 70 Ca 0.12 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1bz1 h ALA 70 Cb 0.67 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1bz1 h ALA 70 CO 0.05 0.08 -0.05 0.35 0.00 0.00 0.00 179.25 179.68 1bz1 h PHE 71 N 0.32 -0.11 -0.56 0.00 3.04 -1.09 -1.84 116.94 116.70 1bz1 h PHE 71 Ca 0.09 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.13 1bz1 h PHE 71 Cb 0.32 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.88 1bz1 h PHE 71 CO 0.02 -0.10 0.27 1.03 -2.02 0.00 0.00 178.31 177.50 1bz1 h SER 72 N 0.02 0.36 0.11 0.41 0.87 -0.58 -1.14 113.55 113.60 1bz1 h SER 72 Ca 0.14 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1bz1 h SER 72 Cb 0.21 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1bz1 h SER 72 CO -0.28 0.24 -0.22 0.44 -0.53 0.00 0.00 176.83 176.48 1bz1 h ASP 73 N 0.50 0.19 0.27 6.23 3.32 -0.63 -2.16 116.42 124.15 1bz1 h ASP 73 Ca 0.26 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1bz1 h ASP 73 Cb 0.21 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1bz1 h ASP 73 CO -0.20 0.42 -0.20 1.23 -1.72 0.00 0.00 179.24 178.78 1bz1 h GLY 74 N 0.87 0.00 2.00 2.75 0.00 -0.41 -2.41 103.07 105.87 1bz1 h GLY 74 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1bz1 h GLY 74 CO 0.03 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.93 1bz1 h LEU 75 N 0.00 0.00 -0.16 3.11 4.07 -0.98 -0.73 115.31 120.62 1bz1 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bz1 h LEU 75 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1bz1 h LEU 75 CO 0.03 0.06 0.00 0.00 -1.08 0.00 0.00 178.44 177.44 1bz1 h ALA 76 N 1.94 1.00 -0.87 1.53 0.00 -1.55 -3.35 119.26 117.97 1bz1 h ALA 76 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1bz1 h ALA 76 Cb 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.59 1bz1 h ALA 76 CO 0.01 0.00 -0.86 0.72 0.00 0.00 0.00 179.25 179.11 1bz1 n HIS 77 N -2.55 2.59 -0.15 0.00 8.25 -0.28 -4.89 115.22 118.19 1bz1 n HIS 77 Ca 0.04 -2.41 0.23 0.00 -0.26 0.00 0.00 57.72 55.32 1bz1 n HIS 77 Cb 0.43 -0.28 0.64 0.00 1.12 0.00 0.00 29.99 31.91 1bz1 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1bz1 h LEU 78 N 2.36 0.14 0.00 2.41 4.07 -1.69 0.29 115.31 122.88 1bz1 h LEU 78 Ca 0.26 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1bz1 h LEU 78 Cb 1.36 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1bz1 h LEU 78 CO 0.68 0.06 -0.04 0.44 -1.08 0.00 0.00 178.44 178.50 1bz1 h ASP 79 N 0.14 0.00 -1.42 -0.43 3.32 -1.90 1.66 116.42 117.80 1bz1 h ASP 79 Ca 0.39 -0.01 -0.42 0.00 0.02 0.00 0.00 57.03 57.01 1bz1 h ASP 79 Cb 1.31 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.46 1bz1 h ASP 79 CO -0.06 0.00 -1.18 -3.20 -1.72 0.00 0.00 179.24 173.09 1bz1 n ASN 80 N -2.53 1.37 -0.20 6.45 5.15 1.00 -4.57 115.26 121.93 1bz1 n ASN 80 Ca 0.05 -2.87 -0.10 0.00 -0.60 0.00 0.00 54.58 51.06 1bz1 n ASN 80 Cb 0.46 -0.56 0.02 0.00 -0.53 0.00 0.00 39.78 39.17 1bz1 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bz1 h LEU 81 N 2.99 1.05 -0.95 1.20 3.38 -1.67 -1.08 115.31 120.23 1bz1 h LEU 81 Ca -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1bz1 h LEU 81 Cb 1.08 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1bz1 h LEU 81 CO 0.52 1.13 0.61 0.11 0.09 0.00 0.00 178.44 180.90 1bz1 h LYS 82 N 0.95 1.27 -0.11 1.13 1.57 -1.90 -1.11 116.57 118.36 1bz1 h LYS 82 Ca 0.16 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1bz1 h LYS 82 Cb 0.63 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1bz1 h LYS 82 CO 0.04 0.86 0.01 0.78 -0.57 0.00 0.00 179.45 180.57 1bz1 h GLY 83 N 1.30 0.21 1.43 3.86 0.00 -1.91 -1.81 103.07 106.14 1bz1 h GLY 83 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1bz1 h GLY 83 CO -0.07 0.13 0.38 -0.84 0.00 0.00 0.00 176.54 176.14 1bz1 h THR 84 N -0.06 1.15 -0.46 4.70 2.02 -0.86 -3.12 112.91 116.28 1bz1 h THR 84 Ca 0.03 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1bz1 h THR 84 Cb 0.32 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1bz1 h THR 84 CO 0.00 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1bz1 n PHE 85 N -4.45 0.60 -0.04 3.16 3.72 -0.45 -4.69 117.46 115.31 1bz1 n PHE 85 Ca 0.06 -0.44 -0.09 0.00 -0.05 0.00 0.00 57.45 56.93 1bz1 n PHE 85 Cb 0.05 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 1bz1 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bz1 h ALA 86 N 3.01 0.20 -0.60 4.37 0.00 -1.26 0.13 119.26 125.11 1bz1 h ALA 86 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1bz1 h ALA 86 Cb 0.82 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1bz1 h ALA 86 CO 0.00 -0.41 -0.02 1.15 0.00 0.00 0.00 179.25 179.97 1bz1 h THR 87 N 0.10 1.27 -0.17 0.00 2.02 -1.84 -2.19 112.91 112.09 1bz1 h THR 87 Ca 0.10 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 1bz1 h THR 87 Cb 0.10 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1bz1 h THR 87 CO -0.14 0.43 -0.23 -0.07 0.37 0.00 0.00 175.52 175.87 1bz1 h LEU 88 N 0.97 0.31 -0.15 2.58 3.38 -1.78 -1.20 115.31 119.42 1bz1 h LEU 88 Ca 0.17 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bz1 h LEU 88 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1bz1 h LEU 88 CO 0.03 0.55 0.08 -1.28 0.09 0.00 0.00 178.44 177.91 1bz1 h SER 89 N 0.28 0.20 -0.60 -0.43 0.87 -0.38 -0.48 113.55 113.00 1bz1 h SER 89 Ca 0.05 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1bz1 h SER 89 Cb 0.57 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1bz1 h SER 89 CO 0.04 0.25 0.40 -0.33 -0.53 0.00 0.00 176.83 176.65 1bz1 h GLU 90 N 0.13 0.80 -0.25 2.24 5.08 -1.15 -1.93 114.58 119.50 1bz1 h GLU 90 Ca 0.05 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1bz1 h GLU 90 Cb 0.10 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1bz1 h GLU 90 CO -0.01 0.53 0.06 1.25 -1.00 0.00 0.00 179.01 179.85 1bz1 h LEU 91 N 0.82 0.05 -1.54 1.33 5.85 -1.00 0.55 115.31 121.36 1bz1 h LEU 91 Ca 0.22 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1bz1 h LEU 91 Cb -0.09 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1bz1 h LEU 91 CO -0.05 0.06 -0.02 0.45 -0.34 0.00 0.00 178.44 178.54 1bz1 h HIS 92 N 0.17 0.27 0.01 1.25 3.86 -0.79 -1.06 115.15 118.85 1bz1 h HIS 92 Ca 0.11 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1bz1 h HIS 92 Cb 0.10 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1bz1 h HIS 92 CO -0.15 0.30 -0.00 0.00 0.86 0.00 0.00 177.93 178.94 1bz1 h ASP 94 N -0.77 0.95 0.00 0.00 3.32 -0.94 -3.16 116.42 115.83 1bz1 h ASP 94 Ca -0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 57.03 56.32 1bz1 h ASP 94 Cb 0.01 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 1bz1 h ASP 94 CO 0.00 1.20 -2.14 0.29 -1.72 0.00 0.00 179.24 176.88 1bz1 n LYS 95 N -4.06 0.48 0.09 3.56 4.76 -0.48 -4.73 118.16 117.78 1bz1 n LYS 95 Ca -0.02 0.13 0.04 0.00 -2.87 0.00 0.00 58.31 55.60 1bz1 n LYS 95 Cb 0.53 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 1bz1 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bz1 h LEU 96 N -0.18 0.00 -1.44 -0.35 3.38 -1.44 -3.49 115.31 111.79 1bz1 h LEU 96 Ca -0.47 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.14 1bz1 h LEU 96 Cb 1.63 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.52 1bz1 h LEU 96 CO -0.13 0.38 -0.76 1.41 0.09 0.00 0.00 178.44 179.43 1bz1 n HIS 97 N -2.93 -2.33 -3.40 1.13 8.25 -0.21 -4.96 115.22 110.76 1bz1 n HIS 97 Ca -0.04 0.94 -0.40 0.00 -0.26 0.00 0.00 57.72 57.97 1bz1 n HIS 97 Cb 0.72 -4.92 -0.09 0.00 1.12 0.00 0.00 29.99 26.83 1bz1 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bz1 s VAL 98 N -3.39 5.17 0.11 1.59 1.01 -0.24 -5.03 120.40 119.62 1bz1 s VAL 98 Ca 0.18 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 1bz1 s VAL 98 Cb -0.08 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 1bz1 s VAL 98 CO 0.75 0.03 1.79 -0.62 0.00 0.00 0.00 175.10 177.05 1bz1 s ASP 99 N 1.70 6.46 0.28 3.32 -1.08 -1.26 -4.75 116.67 121.34 1bz1 s ASP 99 Ca 0.13 2.71 0.19 0.00 -0.52 0.00 0.00 52.55 55.06 1bz1 s ASP 99 Cb -0.16 -2.57 1.03 0.00 -1.46 0.00 0.00 42.92 39.77 1bz1 s ASP 99 CO 0.11 -0.98 1.58 -2.65 0.52 0.00 0.00 175.17 173.75 1bz1 n PRO 100 N 5.64 0.12 0.19 4.34 -0.02 -1.26 -1.36 135.00 142.66 1bz1 n PRO 100 Ca 0.17 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1bz1 n PRO 100 Cb 0.39 -1.91 0.66 0.00 -0.02 0.00 0.00 33.50 32.62 1bz1 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1bz1 h GLU 101 N 0.00 0.00 -0.50 -0.52 4.57 -1.98 -1.41 114.58 114.74 1bz1 h GLU 101 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bz1 h GLU 101 Cb 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1bz1 h GLU 101 CO 0.00 0.00 0.29 -0.91 -1.18 0.00 0.00 179.01 177.21 1bz1 h ASN 102 N 0.00 0.59 -0.40 1.04 4.21 -1.59 -1.23 115.58 118.20 1bz1 h ASN 102 Ca 0.07 -0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.49 1bz1 h ASN 102 Cb 0.27 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 1bz1 h ASN 102 CO -0.00 0.46 0.06 -0.26 -1.29 0.00 0.00 177.43 176.40 1bz1 h PHE 103 N 0.68 0.78 -0.21 1.19 0.04 -1.45 -1.19 116.94 116.78 1bz1 h PHE 103 Ca 0.18 -0.08 -0.15 0.00 2.80 0.00 0.00 57.97 60.71 1bz1 h PHE 103 Cb -0.02 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 37.92 1bz1 h PHE 103 CO 0.00 0.69 -0.46 0.00 -0.60 0.00 0.00 178.31 177.95 1bz1 h ARG 104 N 0.71 0.67 -0.38 1.51 3.08 -1.24 -1.46 114.38 117.28 1bz1 h ARG 104 Ca 0.15 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1bz1 h ARG 104 Cb 0.35 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1bz1 h ARG 104 CO 0.01 1.07 0.24 -0.07 -1.07 0.00 0.00 179.97 180.15 1bz1 h LEU 105 N 0.37 0.44 -0.73 3.04 3.38 -1.17 -1.54 115.31 119.11 1bz1 h LEU 105 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bz1 h LEU 105 Cb 1.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1bz1 h LEU 105 CO 0.10 0.33 0.36 0.25 0.09 0.00 0.00 178.44 179.57 1bz1 h LEU 106 N 0.50 0.94 -0.62 1.67 5.85 -1.16 -0.88 115.31 121.62 1bz1 h LEU 106 Ca 0.14 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1bz1 h LEU 106 Cb -0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1bz1 h LEU 106 CO -0.03 0.79 0.37 1.23 -0.34 0.00 0.00 178.44 180.46 1bz1 h GLY 107 N 1.01 0.89 1.26 3.75 0.00 -0.79 0.20 103.07 109.39 1bz1 h GLY 107 Ca 0.25 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1bz1 h GLY 107 CO -0.03 0.21 -0.14 3.43 0.00 0.00 0.00 176.54 180.01 1bz1 h ASN 108 N 0.71 0.87 -0.43 0.19 2.35 -0.85 -1.92 115.58 116.49 1bz1 h ASN 108 Ca 0.26 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 1bz1 h ASN 108 Cb 0.07 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1bz1 h ASN 108 CO -0.13 1.01 -0.11 0.58 -1.65 0.00 0.00 177.43 177.13 1bz1 h VAL 109 N 0.77 1.26 -0.36 2.81 2.07 -0.80 -2.42 116.25 119.59 1bz1 h VAL 109 Ca 0.12 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.43 1bz1 h VAL 109 Cb 0.66 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1bz1 h VAL 109 CO 0.05 0.43 0.19 0.25 0.02 0.00 0.00 177.57 178.50 1bz1 h LEU 110 N 0.81 0.29 -0.63 2.57 5.85 -0.35 -0.45 115.31 123.40 1bz1 h LEU 110 Ca 0.13 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1bz1 h LEU 110 Cb 0.64 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1bz1 h LEU 110 CO 0.04 0.21 0.41 0.58 -0.34 0.00 0.00 178.44 179.35 1bz1 h VAL 111 N 0.39 1.13 -0.65 1.05 2.07 -1.15 -0.55 116.25 118.54 1bz1 h VAL 111 Ca 0.15 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1bz1 h VAL 111 Cb 0.04 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1bz1 h VAL 111 CO -0.09 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.06 1bz1 h VAL 113 N 0.83 1.18 -0.80 0.00 2.07 -0.48 0.24 116.25 119.28 1bz1 h VAL 113 Ca 0.25 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1bz1 h VAL 113 Cb -0.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1bz1 h VAL 113 CO -0.08 0.20 0.47 -0.07 0.02 0.00 0.00 177.57 178.10 1bz1 h LEU 114 N 0.61 0.98 -0.36 2.57 3.38 -0.78 0.12 115.31 121.83 1bz1 h LEU 114 Ca 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1bz1 h LEU 114 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1bz1 h LEU 114 CO -0.02 0.77 0.23 0.00 0.09 0.00 0.00 178.44 179.50 1bz1 h ALA 115 N 1.25 0.45 -0.60 1.53 0.00 -0.65 0.19 119.26 121.43 1bz1 h ALA 115 Ca 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1bz1 h ALA 115 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bz1 h ALA 115 CO -0.05 -0.07 0.13 1.25 0.00 0.00 0.00 179.25 180.51 1bz1 h HIS 116 N 0.48 1.01 -0.52 0.00 -0.00 -0.51 -0.92 115.15 114.69 1bz1 h HIS 116 Ca 0.13 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1bz1 h HIS 116 Cb -0.03 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 1bz1 h HIS 116 CO -0.05 0.86 -0.11 0.45 -0.00 0.00 0.00 177.93 179.08 1bz1 h HIS 117 N 0.87 1.09 0.00 5.26 -0.00 -0.38 -3.34 115.15 118.66 1bz1 h HIS 117 Ca 0.19 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1bz1 h HIS 117 Cb 0.37 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1bz1 h HIS 117 CO 0.03 1.02 -1.45 1.19 -0.00 0.00 0.00 177.93 178.72 1bz1 n PHE 118 N -4.14 0.02 -1.39 2.45 3.72 0.62 -5.06 117.46 113.67 1bz1 n PHE 118 Ca 0.01 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1bz1 n PHE 118 Cb 0.40 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1bz1 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bz1 n GLY 119 N 1.38 3.18 0.36 1.37 0.00 -0.36 -2.06 105.19 109.07 1bz1 n GLY 119 Ca 0.00 -0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1bz1 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bz1 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.60 116.57 118.91 1bz1 h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bz1 h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bz1 h LYS 120 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 1bz1 h GLU 121 N 0.00 0.00 -3.97 0.07 5.08 -1.81 -3.33 114.58 110.62 1bz1 h GLU 121 Ca 0.11 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.73 1bz1 h GLU 121 Cb 0.71 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 1bz1 h GLU 121 CO -0.00 0.00 1.98 0.34 -1.00 0.00 0.00 179.01 180.33 1bz1 n PHE 122 N -2.90 3.58 -1.22 4.33 7.35 0.20 -4.93 117.46 123.87 1bz1 n PHE 122 Ca 0.01 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 1bz1 n PHE 122 Cb 0.29 -2.10 0.16 0.00 0.35 0.00 0.00 39.48 38.18 1bz1 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bz1 s THR 123 N 1.13 2.27 0.23 -2.13 -4.23 -1.25 -4.67 115.64 106.99 1bz1 s THR 123 Ca 0.42 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1bz1 s THR 123 Cb 0.07 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.48 1bz1 s THR 123 CO -0.00 -0.12 1.75 -0.65 -0.54 0.00 0.00 174.62 175.06 1bz1 h PRO 124 N -1.73 0.46 -0.33 3.99 0.11 -1.94 0.20 132.00 132.76 1bz1 h PRO 124 Ca -0.52 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 1bz1 h PRO 124 Cb 1.31 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1bz1 h PRO 124 CO 0.57 0.30 -0.36 -1.35 -0.21 0.00 0.00 178.00 176.96 1bz1 h PRO 125 N 0.47 0.77 -0.36 1.05 0.11 -1.99 -1.56 132.00 130.48 1bz1 h PRO 125 Ca 0.36 -0.38 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1bz1 h PRO 125 Cb 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1bz1 h PRO 125 CO -0.34 1.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.68 1bz1 h VAL 126 N 0.64 1.27 -0.28 3.15 2.07 -1.69 -2.30 116.25 119.11 1bz1 h VAL 126 Ca 0.06 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1bz1 h VAL 126 Cb 0.90 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1bz1 h VAL 126 CO 0.08 0.37 -0.08 -0.61 0.02 0.00 0.00 177.57 177.34 1bz1 h GLN 127 N 0.49 -0.02 -0.98 1.57 4.15 -0.50 -1.15 115.11 118.67 1bz1 h GLN 127 Ca 0.10 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.65 1bz1 h GLN 127 Cb 0.56 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.16 1bz1 h GLN 127 CO 0.03 -0.01 0.60 0.00 -1.93 0.00 0.00 178.83 177.52 1bz1 h ALA 128 N 1.25 1.51 -0.12 3.38 0.00 -1.06 0.16 119.26 124.38 1bz1 h ALA 128 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1bz1 h ALA 128 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bz1 h ALA 128 CO -0.30 0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.10 1bz1 h ALA 129 N 1.56 0.16 -0.19 0.00 0.00 -0.87 -2.48 119.26 117.43 1bz1 h ALA 129 Ca 0.51 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1bz1 h ALA 129 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1bz1 h ALA 129 CO -0.30 -0.19 -0.07 1.88 0.00 0.00 0.00 179.25 180.57 1bz1 h TYR 130 N -0.03 0.30 -0.70 0.00 0.05 -0.48 -2.31 116.97 113.80 1bz1 h TYR 130 Ca 0.04 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1bz1 h TYR 130 Cb 0.29 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1bz1 h TYR 130 CO 0.02 0.38 0.29 1.96 -1.05 0.00 0.00 178.16 179.75 1bz1 h GLN 131 N 0.28 1.03 -0.56 4.88 1.08 -0.50 0.59 115.11 121.92 1bz1 h GLN 131 Ca 0.06 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 1bz1 h GLN 131 Cb 0.32 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1bz1 h GLN 131 CO 0.02 0.85 0.15 0.87 -0.95 0.00 0.00 178.83 179.76 1bz1 h LYS 132 N 0.99 0.88 0.10 1.46 1.57 -1.01 -1.59 116.57 118.97 1bz1 h LYS 132 Ca 0.23 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1bz1 h LYS 132 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1bz1 h LYS 132 CO -0.02 0.81 -0.05 0.28 -0.57 0.00 0.00 179.45 179.90 1bz1 h VAL 133 N 0.78 1.01 -0.13 0.50 2.07 -1.03 -0.22 116.25 119.23 1bz1 h VAL 133 Ca 0.18 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1bz1 h VAL 133 Cb 0.32 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1bz1 h VAL 133 CO -0.00 0.10 -0.14 -0.37 0.02 0.00 0.00 177.57 177.18 1bz1 h VAL 134 N -0.33 1.17 -0.27 2.57 -1.51 -0.83 0.53 116.25 117.59 1bz1 h VAL 134 Ca -0.01 -0.77 -0.18 0.00 -1.23 0.00 0.00 66.70 64.51 1bz1 h VAL 134 Cb 0.27 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1bz1 h VAL 134 CO 0.02 0.24 -0.56 0.00 -1.23 0.00 0.00 177.57 176.04 1bz1 h ALA 135 N 1.67 0.50 -0.29 5.19 0.00 -1.13 -2.01 119.26 123.20 1bz1 h ALA 135 Ca 0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bz1 h ALA 135 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bz1 h ALA 135 CO 0.02 0.68 0.16 0.78 0.00 0.00 0.00 179.25 180.90 1bz1 h GLY 136 N 0.75 0.43 0.94 0.00 0.00 -0.24 -1.12 103.07 103.83 1bz1 h GLY 136 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1bz1 h GLY 136 CO 0.12 0.18 0.11 -2.08 0.00 0.00 0.00 176.54 174.87 1bz1 h VAL 137 N 0.35 1.22 -0.90 4.60 2.07 -0.92 -0.42 116.25 122.25 1bz1 h VAL 137 Ca 0.10 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1bz1 h VAL 137 Cb 0.05 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1bz1 h VAL 137 CO -0.02 0.26 0.58 0.00 0.02 0.00 0.00 177.57 178.42 1bz1 h ALA 138 N 0.96 1.14 -0.32 1.67 0.00 -1.16 -0.38 119.26 121.17 1bz1 h ALA 138 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1bz1 h ALA 138 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1bz1 h ALA 138 CO -0.00 0.56 0.00 -0.91 0.00 0.00 0.00 179.25 178.90 1bz1 h ASN 139 N 1.22 0.56 -0.91 0.00 2.35 -1.06 -1.51 115.58 116.23 1bz1 h ASN 139 Ca 0.33 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1bz1 h ASN 139 Cb -0.12 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 1bz1 h ASN 139 CO -0.07 0.73 0.51 0.00 -1.65 0.00 0.00 177.43 176.95 1bz1 h ALA 140 N 0.85 1.17 0.00 -0.83 0.00 -0.53 -2.12 119.26 117.81 1bz1 h ALA 140 Ca 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1bz1 h ALA 140 Cb 0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bz1 h ALA 140 CO 0.02 0.67 -0.31 -0.07 0.00 0.00 0.00 179.25 179.56 1bz1 h LEU 141 N 1.28 0.00 0.00 0.00 3.38 -0.93 -3.19 115.31 115.85 1bz1 h LEU 141 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1bz1 h LEU 141 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bz1 h LEU 141 CO -0.05 0.31 -0.69 0.00 0.09 0.00 0.00 178.44 178.09 1bz1 n ALA 142 N -2.23 3.55 -0.29 1.53 0.00 -0.58 -4.45 120.51 118.04 1bz1 n ALA 142 Ca 0.01 -0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.15 1bz1 n ALA 142 Cb 0.52 -1.06 0.23 0.00 0.00 0.00 0.00 19.45 19.15 1bz1 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bz1 h HIS 143 N 0.00 0.66 -0.42 0.00 6.17 -1.38 -2.59 115.15 117.59 1bz1 h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1bz1 h HIS 143 Cb 0.59 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1bz1 h HIS 143 CO 0.00 0.09 0.00 1.63 0.71 0.00 0.00 177.93 180.36 1bz1 n LYS 144 N -4.95 2.14 -2.11 5.26 4.76 -1.26 -4.93 118.16 117.06 1bz1 n LYS 144 Ca 0.17 -1.75 -0.39 0.00 -2.87 0.00 0.00 58.31 53.47 1bz1 n LYS 144 Cb 0.48 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 1bz1 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1bz1 s TYR 145 N -1.44 2.88 0.00 2.13 1.51 -0.98 -4.76 117.35 116.69 1bz1 s TYR 145 Ca 0.34 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1bz1 s TYR 145 Cb 0.18 -3.60 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 1bz1 s TYR 145 CO 0.25 -1.89 0.00 -2.39 -1.11 0.00 0.00 175.55 170.41