#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz0 s LEU 2 N 0.00 4.10 0.96 7.52 1.43 -1.26 -5.04 118.68 126.39 1bz0 s LEU 2 Ca 0.00 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1bz0 s LEU 2 Cb 0.00 -3.11 0.16 0.00 0.03 0.00 0.00 46.19 43.28 1bz0 s LEU 2 CO 0.00 -0.95 1.10 -0.94 0.23 0.00 0.00 176.35 175.79 1bz0 s SER 3 N 2.13 3.00 0.34 2.29 1.04 -1.26 -4.74 113.70 116.50 1bz0 s SER 3 Ca 0.34 1.26 0.04 0.00 0.48 0.00 0.00 55.95 58.07 1bz0 s SER 3 Cb -0.11 -1.93 0.66 0.00 0.10 0.00 0.00 66.02 64.74 1bz0 s SER 3 CO 0.23 -2.90 1.94 -0.65 0.98 0.00 0.00 173.24 172.84 1bz0 h PRO 4 N -1.73 0.84 -0.31 4.02 0.11 -1.99 -0.23 132.00 132.70 1bz0 h PRO 4 Ca -0.52 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.41 1bz0 h PRO 4 Cb 1.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1bz0 h PRO 4 CO 0.57 0.55 -0.30 0.00 -0.21 0.00 0.00 178.00 178.61 1bz0 h ALA 5 N 1.57 0.88 -0.41 -0.75 0.00 -1.99 -1.52 119.26 117.04 1bz0 h ALA 5 Ca 0.35 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bz0 h ALA 5 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bz0 h ALA 5 CO -0.12 0.63 0.25 -0.44 0.00 0.00 0.00 179.25 179.57 1bz0 h ASP 6 N 0.56 0.50 -0.82 0.00 3.32 -1.49 -0.63 116.42 117.85 1bz0 h ASP 6 Ca 0.07 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1bz0 h ASP 6 Cb 0.80 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1bz0 h ASP 6 CO 0.07 0.40 0.46 0.11 -1.72 0.00 0.00 179.24 178.55 1bz0 h LYS 7 N 0.55 1.15 -0.32 3.56 1.57 -0.95 -0.56 116.57 121.56 1bz0 h LYS 7 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1bz0 h LYS 7 Cb -0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1bz0 h LYS 7 CO -0.03 0.84 0.21 1.15 -0.57 0.00 0.00 179.45 181.05 1bz0 h THR 8 N 1.15 1.08 -0.35 -0.16 2.02 -1.03 -1.37 112.91 114.25 1bz0 h THR 8 Ca 0.29 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1bz0 h THR 8 Cb 0.02 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1bz0 h THR 8 CO -0.05 0.08 0.21 0.78 0.37 0.00 0.00 175.52 176.92 1bz0 h ASN 9 N 0.43 0.42 -0.14 4.18 2.35 -0.76 -0.78 115.58 121.28 1bz0 h ASN 9 Ca 0.12 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1bz0 h ASN 9 Cb -0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1bz0 h ASN 9 CO -0.03 0.34 0.05 0.58 -1.65 0.00 0.00 177.43 176.73 1bz0 h VAL 10 N 0.46 1.16 -0.67 2.81 2.07 -1.02 -0.76 116.25 120.29 1bz0 h VAL 10 Ca 0.13 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1bz0 h VAL 10 Cb -0.00 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1bz0 h VAL 10 CO -0.02 0.15 0.31 0.11 0.02 0.00 0.00 177.57 178.14 1bz0 h LYS 11 N 0.06 0.96 -0.16 1.57 1.57 -1.16 -0.63 116.57 118.77 1bz0 h LYS 11 Ca 0.05 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1bz0 h LYS 11 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1bz0 h LYS 11 CO -0.00 0.75 -0.01 0.00 -0.57 0.00 0.00 179.45 179.61 1bz0 h ALA 12 N 1.39 0.22 -0.25 3.86 0.00 -0.94 -1.01 119.26 122.53 1bz0 h ALA 12 Ca 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1bz0 h ALA 12 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bz0 h ALA 12 CO -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.18 1bz0 h ALA 13 N 0.76 0.34 -0.20 0.00 0.00 -0.95 -2.59 119.26 116.62 1bz0 h ALA 13 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1bz0 h ALA 13 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bz0 h ALA 13 CO 0.01 0.05 -0.11 2.35 0.00 0.00 0.00 179.25 181.55 1bz0 h TRP 14 N 0.22 0.33 0.12 0.00 2.91 -1.17 -2.15 115.95 116.22 1bz0 h TRP 14 Ca 0.07 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.07 1bz0 h TRP 14 Cb 0.38 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 1bz0 h TRP 14 CO 0.03 0.42 -0.26 0.78 -1.03 0.00 0.00 178.44 178.39 1bz0 h GLY 15 N 0.78 -0.48 2.00 2.65 0.00 -0.97 -1.66 103.07 105.39 1bz0 h GLY 15 Ca 0.06 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1bz0 h GLY 15 CO 0.02 -0.22 -0.08 0.50 0.00 0.00 0.00 176.54 176.76 1bz0 h LYS 16 N -0.47 0.00 0.31 4.80 1.79 -1.16 -2.45 116.57 119.39 1bz0 h LYS 16 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1bz0 h LYS 16 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1bz0 h LYS 16 CO -0.15 0.08 -0.15 0.28 -1.08 0.00 0.00 179.45 178.44 1bz0 h VAL 17 N 0.00 0.70 0.00 0.50 2.07 -0.67 -3.45 116.25 115.41 1bz0 h VAL 17 Ca -0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bz0 h VAL 17 Cb 0.18 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1bz0 h VAL 17 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1bz0 n GLY 18 N -1.26 3.87 0.27 2.17 0.00 -0.89 -1.84 105.19 107.50 1bz0 n GLY 18 Ca -0.10 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1bz0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bz0 h ALA 19 N -0.81 1.17 -0.00 4.61 0.00 -1.87 -2.93 119.26 119.44 1bz0 h ALA 19 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bz0 h ALA 19 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bz0 h ALA 19 CO 0.00 0.12 -0.01 0.72 0.00 0.00 0.00 179.25 180.08 1bz0 n HIS 20 N -3.45 0.00 -0.25 0.00 8.25 -0.77 -4.35 115.22 114.65 1bz0 n HIS 20 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1bz0 n HIS 20 Cb 0.25 -0.11 0.16 0.00 1.12 0.00 0.00 29.99 31.40 1bz0 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bz0 h ALA 21 N 3.78 0.79 -0.34 -1.41 0.00 -1.66 -1.03 119.26 119.38 1bz0 h ALA 21 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1bz0 h ALA 21 Cb 0.15 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bz0 h ALA 21 CO 0.00 -0.42 0.22 0.78 0.00 0.00 0.00 179.25 179.83 1bz0 h GLY 22 N 0.11 0.48 0.95 0.00 0.00 -1.85 0.09 103.07 102.85 1bz0 h GLY 22 Ca 0.41 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1bz0 h GLY 22 CO -0.65 0.16 0.58 -2.09 0.00 0.00 0.00 176.54 174.55 1bz0 h GLU 23 N 0.45 1.14 -0.05 4.80 4.81 -1.55 -1.98 114.58 122.20 1bz0 h GLU 23 Ca 0.13 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1bz0 h GLU 23 Cb -0.04 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1bz0 h GLU 23 CO -0.04 0.75 -0.56 1.88 -0.73 0.00 0.00 179.01 180.31 1bz0 h TYR 24 N 1.17 0.18 -0.44 0.92 0.05 -0.88 -1.49 116.97 116.48 1bz0 h TYR 24 Ca 0.34 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.97 1bz0 h TYR 24 Cb -0.08 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1bz0 h TYR 24 CO -0.01 0.67 -0.06 0.78 -1.05 0.00 0.00 178.16 178.49 1bz0 h GLY 25 N 1.53 0.89 0.98 3.88 0.00 -0.51 -0.70 103.07 109.14 1bz0 h GLY 25 Ca -0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 1bz0 h GLY 25 CO 0.08 0.64 0.02 0.00 0.00 0.00 0.00 176.54 177.28 1bz0 h ALA 26 N 0.88 0.61 -0.71 3.60 0.00 -1.25 -1.85 119.26 120.55 1bz0 h ALA 26 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1bz0 h ALA 26 Cb 0.58 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1bz0 h ALA 26 CO 0.03 0.39 0.38 1.49 0.00 0.00 0.00 179.25 181.54 1bz0 h GLU 27 N 0.64 0.99 -0.74 0.00 4.81 -1.14 -1.58 114.58 117.56 1bz0 h GLU 27 Ca 0.13 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1bz0 h GLU 27 Cb 0.47 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1bz0 h GLU 27 CO 0.02 0.75 0.49 0.00 -0.73 0.00 0.00 179.01 179.53 1bz0 h ALA 28 N 1.19 0.94 -0.29 2.92 0.00 -0.83 0.03 119.26 123.22 1bz0 h ALA 28 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1bz0 h ALA 28 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1bz0 h ALA 28 CO -0.04 0.37 0.16 -0.07 0.00 0.00 0.00 179.25 179.67 1bz0 h LEU 29 N 1.01 0.36 -0.56 0.00 3.38 -1.03 -1.20 115.31 117.28 1bz0 h LEU 29 Ca 0.27 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1bz0 h LEU 29 Cb -0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1bz0 h LEU 29 CO -0.06 0.34 0.28 -0.08 0.09 0.00 0.00 178.44 179.02 1bz0 h GLU 30 N 0.35 0.53 -0.69 1.13 4.81 -0.89 0.14 114.58 119.96 1bz0 h GLU 30 Ca 0.10 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1bz0 h GLU 30 Cb 0.06 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1bz0 h GLU 30 CO -0.02 0.35 0.45 0.00 -0.73 0.00 0.00 179.01 179.06 1bz0 h ARG 31 N 0.54 0.89 -0.08 1.92 3.08 -0.77 -1.41 114.38 118.55 1bz0 h ARG 31 Ca 0.25 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1bz0 h ARG 31 Cb 0.16 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1bz0 h ARG 31 CO -0.17 0.59 0.03 1.98 -1.07 0.00 0.00 179.97 181.33 1bz0 h MET 32 N 0.92 0.12 -0.61 0.04 4.05 -0.37 0.60 114.93 119.68 1bz0 h MET 32 Ca 0.26 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.62 1bz0 h MET 32 Cb -0.08 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1bz0 h MET 32 CO -0.07 0.24 0.24 0.74 0.23 0.00 0.00 176.91 178.29 1bz0 h PHE 33 N -0.02 0.90 0.05 1.39 0.04 -0.52 0.93 116.94 119.70 1bz0 h PHE 33 Ca 0.03 -0.05 -0.27 0.00 2.80 0.00 0.00 57.97 60.47 1bz0 h PHE 33 Cb 0.17 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 38.06 1bz0 h PHE 33 CO -0.02 0.69 -1.11 -0.07 -0.60 0.00 0.00 178.31 177.21 1bz0 h LEU 34 N 0.88 0.83 0.07 1.54 3.38 -1.05 -3.31 115.31 117.64 1bz0 h LEU 34 Ca 0.21 -0.70 -0.25 0.00 0.09 0.00 0.00 57.88 57.22 1bz0 h LEU 34 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1bz0 h LEU 34 CO -0.02 1.51 -1.15 0.28 0.09 0.00 0.00 178.44 179.15 1bz0 h SER 35 N 0.32 0.24 -2.66 -0.43 0.02 -0.74 -3.40 113.55 106.89 1bz0 h SER 35 Ca -0.14 -0.26 -0.60 0.00 -0.84 0.00 0.00 61.79 59.95 1bz0 h SER 35 Cb 1.77 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.83 1bz0 h SER 35 CO 0.21 1.20 -0.82 -0.36 -1.14 0.00 0.00 176.83 175.92 1bz0 s PHE 36 N -2.68 2.05 0.61 3.45 0.08 0.31 -4.99 117.98 116.81 1bz0 s PHE 36 Ca -0.02 -2.71 0.32 0.00 0.12 0.00 0.00 56.93 54.64 1bz0 s PHE 36 Cb 0.08 -1.61 1.86 0.00 -0.57 0.00 0.00 43.02 42.78 1bz0 s PHE 36 CO 0.85 -0.72 2.18 -1.00 -0.10 0.00 0.00 175.22 176.44 1bz0 h PRO 37 N 5.57 0.00 0.00 0.24 0.13 -1.75 -0.90 132.00 135.29 1bz0 h PRO 37 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1bz0 h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1bz0 h PRO 37 CO 0.50 0.00 -0.06 1.79 -0.23 0.00 0.00 178.00 180.00 1bz0 h THR 38 N 0.00 0.41 0.00 1.56 1.35 -1.91 -1.09 112.91 113.23 1bz0 h THR 38 Ca 0.04 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1bz0 h THR 38 Cb 0.27 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1bz0 h THR 38 CO -0.00 0.06 0.00 0.71 -0.25 0.00 0.00 175.52 176.04 1bz0 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.48 -2.34 112.91 117.26 1bz0 h THR 39 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1bz0 h THR 39 Cb 0.21 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1bz0 h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1bz0 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.38 -2.96 116.57 118.53 1bz0 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bz0 h LYS 40 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1bz0 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1bz0 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.60 -1.79 112.91 110.70 1bz0 h THR 41 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1bz0 h THR 41 Cb 0.42 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1bz0 h THR 41 CO 0.00 0.00 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.87 1bz0 n TYR 42 N -2.70 0.00 -2.78 4.73 4.01 -1.12 -4.32 117.16 114.98 1bz0 n TYR 42 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1bz0 n TYR 42 Cb 0.08 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1bz0 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1bz0 n PHE 43 N -0.31 1.72 0.30 -0.72 3.01 -0.67 -4.86 117.46 115.92 1bz0 n PHE 43 Ca 0.14 -3.25 0.18 0.00 1.01 0.00 0.00 57.45 55.54 1bz0 n PHE 43 Cb 0.36 -0.34 0.81 0.00 -0.01 0.00 0.00 39.48 40.30 1bz0 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bz0 h PRO 44 N 2.91 0.00 -0.13 -1.08 0.13 -1.75 -2.49 132.00 129.59 1bz0 h PRO 44 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1bz0 h PRO 44 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1bz0 h PRO 44 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1bz0 n HIS 45 N -2.99 0.15 -4.10 1.56 1.44 -1.26 -4.92 115.22 105.10 1bz0 n HIS 45 Ca -0.00 -0.08 -0.27 0.00 -2.01 0.00 0.00 57.72 55.36 1bz0 n HIS 45 Cb 0.23 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.28 1bz0 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1bz0 s PHE 46 N -1.85 3.09 -0.42 -1.40 0.40 -0.94 -5.08 117.98 111.79 1bz0 s PHE 46 Ca 0.34 -0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.42 1bz0 s PHE 46 Cb 0.19 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1bz0 s PHE 46 CO 0.30 0.52 0.76 0.34 0.70 0.00 0.00 175.22 177.84 1bz0 s ASP 47 N -2.95 6.44 -0.05 1.36 -1.08 -1.26 -4.92 116.67 114.21 1bz0 s ASP 47 Ca 0.30 0.01 0.16 0.00 -0.52 0.00 0.00 52.55 52.50 1bz0 s ASP 47 Cb -0.10 -2.38 0.55 0.00 -1.46 0.00 0.00 42.92 39.53 1bz0 s ASP 47 CO 0.22 -0.83 1.44 0.18 0.52 0.00 0.00 175.17 176.70 1bz0 n LEU 48 N 6.56 3.58 -4.76 -1.34 4.77 -1.26 -4.53 117.00 120.01 1bz0 n LEU 48 Ca 0.02 -1.80 -0.32 0.00 -0.03 0.00 0.00 56.01 53.88 1bz0 n LEU 48 Cb 0.48 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1bz0 n LEU 48 CO 0.56 0.71 0.72 -0.94 -1.33 0.00 0.00 177.39 177.12 1bz0 s SER 49 N -0.89 4.72 0.19 -1.43 1.04 -1.26 -4.89 113.70 111.18 1bz0 s SER 49 Ca 0.40 1.96 -0.33 0.00 0.48 0.00 0.00 55.95 58.46 1bz0 s SER 49 Cb 0.24 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.69 1bz0 s SER 49 CO 0.22 -1.89 1.62 1.57 0.98 0.00 0.00 173.24 175.74 1bz0 n HIS 50 N -2.96 2.46 -0.50 5.02 -0.00 -1.26 -0.95 115.22 117.03 1bz0 n HIS 50 Ca 0.10 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.48 1bz0 n HIS 50 Cb 0.52 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 1bz0 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bz0 n GLY 51 N 3.47 1.02 3.65 1.57 0.00 -1.26 -5.01 105.19 108.62 1bz0 n GLY 51 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.71 1bz0 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bz0 n SER 52 N 0.00 2.49 0.22 1.61 2.88 -0.12 -4.85 113.62 115.85 1bz0 n SER 52 Ca 0.00 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.75 1bz0 n SER 52 Cb 0.00 -1.37 0.48 0.00 -0.75 0.00 0.00 64.21 62.57 1bz0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bz0 h ALA 53 N 4.56 1.14 -0.51 -1.46 0.00 -1.90 -2.06 119.26 119.04 1bz0 h ALA 53 Ca -0.45 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1bz0 h ALA 53 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1bz0 h ALA 53 CO 0.78 0.33 -0.17 1.96 0.00 0.00 0.00 179.25 182.16 1bz0 h GLN 54 N 0.00 1.01 -0.35 0.00 4.20 -1.88 0.27 115.11 118.35 1bz0 h GLN 54 Ca -0.00 -0.41 -0.12 0.00 0.06 0.00 0.00 58.65 58.18 1bz0 h GLN 54 Cb 0.66 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1bz0 h GLN 54 CO 0.03 1.09 -0.23 0.28 -0.67 0.00 0.00 178.83 179.33 1bz0 h VAL 55 N 0.88 1.29 -0.57 -0.54 2.07 -1.74 0.04 116.25 117.68 1bz0 h VAL 55 Ca 0.12 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1bz0 h VAL 55 Cb 0.75 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1bz0 h VAL 55 CO 0.06 0.45 0.22 0.11 0.02 0.00 0.00 177.57 178.44 1bz0 h LYS 56 N 0.57 0.86 -0.57 1.57 1.57 -1.22 0.36 116.57 119.70 1bz0 h LYS 56 Ca 0.07 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1bz0 h LYS 56 Cb 0.80 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1bz0 h LYS 56 CO 0.06 0.74 0.22 0.78 -0.57 0.00 0.00 179.45 180.68 1bz0 h GLY 57 N 0.79 0.92 1.09 3.86 0.00 -0.28 -1.99 103.07 107.45 1bz0 h GLY 57 Ca 0.19 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 1bz0 h GLY 57 CO -0.01 0.48 -0.23 0.84 0.00 0.00 0.00 176.54 177.61 1bz0 h HIS 58 N 0.78 1.10 -0.85 5.60 -0.00 -0.77 -2.53 115.15 118.49 1bz0 h HIS 58 Ca 0.19 -0.28 0.09 0.00 -0.00 0.00 0.00 60.37 60.37 1bz0 h HIS 58 Cb 0.22 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 27.31 1bz0 h HIS 58 CO 0.01 1.09 0.50 0.78 -0.00 0.00 0.00 177.93 180.31 1bz0 h GLY 59 N 0.79 1.31 0.97 5.26 0.00 -0.07 -1.00 103.07 110.32 1bz0 h GLY 59 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1bz0 h GLY 59 CO 0.07 0.17 0.23 1.70 0.00 0.00 0.00 176.54 178.71 1bz0 h LYS 60 N 0.86 0.72 -0.65 4.80 3.11 -1.17 -0.49 116.57 123.75 1bz0 h LYS 60 Ca 0.40 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1bz0 h LYS 60 Cb 0.31 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.38 1bz0 h LYS 60 CO -0.22 0.61 0.39 0.87 -2.81 0.00 0.00 179.45 178.29 1bz0 h LYS 61 N 0.66 0.88 -0.29 1.90 1.57 -0.98 0.98 116.57 121.28 1bz0 h LYS 61 Ca 0.17 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1bz0 h LYS 61 Cb 0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1bz0 h LYS 61 CO -0.02 0.62 0.10 0.28 -0.57 0.00 0.00 179.45 179.87 1bz0 h VAL 62 N 0.88 1.19 -0.61 0.50 2.07 -1.03 -1.71 116.25 117.53 1bz0 h VAL 62 Ca 0.23 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1bz0 h VAL 62 Cb -0.03 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1bz0 h VAL 62 CO -0.04 0.20 0.04 0.00 0.02 0.00 0.00 177.57 177.79 1bz0 h ALA 63 N 0.94 0.92 -0.63 1.67 0.00 -0.87 -1.55 119.26 119.73 1bz0 h ALA 63 Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1bz0 h ALA 63 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1bz0 h ALA 63 CO -0.01 0.66 0.25 -0.44 0.00 0.00 0.00 179.25 179.71 1bz0 h ASP 64 N 0.96 0.85 -0.79 0.00 3.32 -0.70 0.12 116.42 120.19 1bz0 h ASP 64 Ca 0.18 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1bz0 h ASP 64 Cb 0.50 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1bz0 h ASP 64 CO 0.02 0.76 0.33 0.00 -1.72 0.00 0.00 179.24 178.63 1bz0 h ALA 65 N 1.36 1.08 -0.47 3.45 0.00 -0.76 -1.31 119.26 122.63 1bz0 h ALA 65 Ca 0.21 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1bz0 h ALA 65 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bz0 h ALA 65 CO -0.02 0.66 -0.13 -0.07 0.00 0.00 0.00 179.25 179.69 1bz0 h LEU 66 N 1.15 0.92 -0.59 0.00 -0.00 -0.52 -0.78 115.31 115.48 1bz0 h LEU 66 Ca 0.27 -0.37 0.02 0.00 -0.00 0.00 0.00 57.88 57.80 1bz0 h LEU 66 Cb 0.20 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.57 1bz0 h LEU 66 CO -0.02 1.08 0.37 0.74 -0.00 0.00 0.00 178.44 180.60 1bz0 h THR 67 N 0.76 1.08 -0.58 0.22 2.02 -0.47 0.54 112.91 116.48 1bz0 h THR 67 Ca 0.12 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1bz0 h THR 67 Cb 0.69 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1bz0 h THR 67 CO 0.05 0.13 0.20 -1.13 0.37 0.00 0.00 175.52 175.14 1bz0 h ASN 68 N 0.73 0.78 -0.54 4.18 -1.24 -0.98 -2.06 115.58 116.45 1bz0 h ASN 68 Ca 0.24 -0.11 -0.09 0.00 0.71 0.00 0.00 56.30 57.04 1bz0 h ASN 68 Cb 0.00 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 1bz0 h ASN 68 CO -0.09 0.73 -0.02 0.00 -1.29 0.00 0.00 177.43 176.76 1bz0 h ALA 69 N 1.39 0.73 -0.53 1.57 0.00 -0.28 -2.20 119.26 119.94 1bz0 h ALA 69 Ca 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1bz0 h ALA 69 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bz0 h ALA 69 CO -0.01 0.57 0.16 0.28 0.00 0.00 0.00 179.25 180.25 1bz0 h VAL 70 N 0.85 1.24 -0.63 0.00 2.07 -0.57 -1.43 116.25 117.78 1bz0 h VAL 70 Ca 0.15 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1bz0 h VAL 70 Cb 0.56 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1bz0 h VAL 70 CO 0.03 0.30 0.42 0.00 0.02 0.00 0.00 177.57 178.33 1bz0 h ALA 71 N 1.02 1.68 -0.68 1.67 0.00 -1.22 -2.74 119.26 119.00 1bz0 h ALA 71 Ca 0.17 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.57 1bz0 h ALA 71 Cb 0.29 -0.20 -0.32 0.00 0.00 0.00 0.00 17.79 17.56 1bz0 h ALA 71 CO -0.00 0.24 -0.37 0.72 0.00 0.00 0.00 179.25 179.84 1bz0 n HIS 72 N -4.47 2.39 0.32 0.00 8.25 -0.84 -4.85 115.22 116.02 1bz0 n HIS 72 Ca 0.08 -2.23 0.21 0.00 -0.26 0.00 0.00 57.72 55.52 1bz0 n HIS 72 Cb 0.15 -0.57 1.12 0.00 1.12 0.00 0.00 29.99 31.82 1bz0 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1bz0 h VAL 73 N 1.70 0.00 0.00 1.59 3.04 -0.94 0.20 116.25 121.84 1bz0 h VAL 73 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1bz0 h VAL 73 Cb 1.38 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1bz0 h VAL 73 CO 0.81 0.00 -0.67 0.47 -1.01 0.00 0.00 177.57 177.17 1bz0 n ASP 74 N -2.98 0.64 -2.67 3.17 8.00 -1.26 -4.34 116.55 117.11 1bz0 n ASP 74 Ca -0.03 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 1bz0 n ASP 74 Cb 0.10 0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1bz0 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bz0 n ASP 75 N -1.98 2.01 -0.17 -2.24 2.03 0.01 -4.96 116.55 111.25 1bz0 n ASP 75 Ca 0.03 -2.92 -0.09 0.00 0.52 0.00 0.00 54.79 52.33 1bz0 n ASP 75 Cb 0.42 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1bz0 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1bz0 h MET 76 N 2.93 0.77 -0.61 -0.67 2.86 -1.62 -2.10 114.93 116.50 1bz0 h MET 76 Ca -0.01 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1bz0 h MET 76 Cb 1.11 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.62 1bz0 h MET 76 CO 0.57 0.76 0.34 -1.35 1.06 0.00 0.00 176.91 178.28 1bz0 h PRO 77 N 0.65 0.62 -0.14 -0.22 0.11 -1.93 0.98 132.00 132.08 1bz0 h PRO 77 Ca 0.15 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 1bz0 h PRO 77 Cb 0.34 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1bz0 h PRO 77 CO 0.00 0.41 -0.40 -0.97 -0.21 0.00 0.00 178.00 176.83 1bz0 h ASN 78 N 0.64 0.60 -0.72 -2.05 -1.24 -1.96 -2.00 115.58 108.85 1bz0 h ASN 78 Ca 0.27 -0.59 0.02 0.00 0.71 0.00 0.00 56.30 56.71 1bz0 h ASN 78 Cb 0.14 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.98 1bz0 h ASN 78 CO -0.16 1.08 0.48 0.00 -1.29 0.00 0.00 177.43 177.54 1bz0 h ALA 79 N 0.53 1.52 -0.66 1.57 0.00 -1.02 -2.56 119.26 118.65 1bz0 h ALA 79 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bz0 h ALA 79 Cb 1.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bz0 h ALA 79 CO 0.09 0.43 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1bz0 n LEU 80 N -4.44 4.87 -0.11 0.00 4.77 0.31 -4.67 117.00 117.73 1bz0 n LEU 80 Ca 0.08 -2.46 -0.05 0.00 -0.03 0.00 0.00 56.01 53.55 1bz0 n LEU 80 Cb 0.07 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.58 1bz0 n LEU 80 CO 0.36 0.81 0.88 -1.28 -1.33 0.00 0.00 177.39 176.82 1bz0 h SER 81 N 4.17 -0.07 -0.11 -1.43 0.87 -0.92 0.59 113.55 116.65 1bz0 h SER 81 Ca 0.00 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1bz0 h SER 81 Cb 1.49 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 1bz0 h SER 81 CO 0.25 -0.00 -0.14 0.00 -0.53 0.00 0.00 176.83 176.41 1bz0 h ALA 82 N 1.30 1.26 -0.20 6.23 0.00 -1.83 -1.27 119.26 124.75 1bz0 h ALA 82 Ca 0.18 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1bz0 h ALA 82 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1bz0 h ALA 82 CO -0.26 0.49 -0.55 -0.07 0.00 0.00 0.00 179.25 178.85 1bz0 h LEU 83 N 0.42 0.66 -0.54 0.00 3.38 -1.64 -0.90 115.31 116.69 1bz0 h LEU 83 Ca 0.08 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1bz0 h LEU 83 Cb 0.50 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1bz0 h LEU 83 CO 0.03 1.08 0.23 0.28 0.09 0.00 0.00 178.44 180.15 1bz0 h SER 84 N 0.46 0.73 -0.22 -0.43 0.02 -0.55 -1.13 113.55 112.44 1bz0 h SER 84 Ca 0.01 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1bz0 h SER 84 Cb 1.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1bz0 h SER 84 CO 0.11 0.69 0.14 0.44 -1.14 0.00 0.00 176.83 177.06 1bz0 h ASP 85 N 0.73 0.26 -0.31 3.07 3.32 -1.10 -1.36 116.42 121.03 1bz0 h ASP 85 Ca 0.18 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.25 1bz0 h ASP 85 Cb 0.17 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1bz0 h ASP 85 CO -0.02 0.21 0.06 0.25 -1.72 0.00 0.00 179.24 178.02 1bz0 h LEU 86 N 0.28 0.01 -0.32 1.55 5.85 -1.00 0.20 115.31 121.89 1bz0 h LEU 86 Ca 0.08 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 1bz0 h LEU 86 Cb -0.01 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1bz0 h LEU 86 CO -0.02 0.04 -0.50 0.45 -0.34 0.00 0.00 178.44 178.08 1bz0 h HIS 87 N 0.17 1.12 -0.28 1.25 3.86 -1.13 -1.15 115.15 118.99 1bz0 h HIS 87 Ca 0.14 -0.38 -0.07 0.00 -1.16 0.00 0.00 60.37 58.90 1bz0 h HIS 87 Cb 0.15 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1bz0 h HIS 87 CO -0.17 1.21 -0.10 0.00 0.86 0.00 0.00 177.93 179.73 1bz0 h ALA 88 N 0.71 0.39 0.00 2.45 0.00 -1.06 0.51 119.26 122.26 1bz0 h ALA 88 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bz0 h ALA 88 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1bz0 h ALA 88 CO 0.11 0.23 -1.77 0.72 0.00 0.00 0.00 179.25 178.55 1bz0 n HIS 89 N -4.47 0.00 0.04 0.00 8.25 0.04 -4.54 115.22 114.54 1bz0 n HIS 89 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1bz0 n HIS 89 Cb 0.33 -0.39 -0.00 0.00 1.12 0.00 0.00 29.99 31.06 1bz0 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bz0 n LYS 90 N -2.08 0.03 -0.06 -0.41 4.81 -0.53 -4.86 118.16 115.06 1bz0 n LYS 90 Ca -0.02 0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.31 1bz0 n LYS 90 Cb 0.50 -0.53 -0.06 0.00 0.02 0.00 0.00 35.03 34.96 1bz0 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1bz0 h LEU 91 N -0.06 0.32 -1.77 3.14 3.38 -1.41 -3.47 115.31 115.44 1bz0 h LEU 91 Ca 0.00 -0.33 -0.40 0.00 0.09 0.00 0.00 57.88 57.24 1bz0 h LEU 91 Cb 0.06 -0.09 0.08 0.00 0.09 0.00 0.00 40.66 40.80 1bz0 h LEU 91 CO 0.00 0.58 -0.82 0.54 0.09 0.00 0.00 178.44 178.83 1bz0 n ARG 92 N -4.70 -5.25 -2.41 1.13 1.74 0.18 -4.94 116.66 102.41 1bz0 n ARG 92 Ca -0.05 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.28 1bz0 n ARG 92 Cb 0.24 -5.34 -0.03 0.00 -1.02 0.00 0.00 32.46 26.32 1bz0 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bz0 s VAL 93 N -3.59 4.06 0.26 1.55 1.01 -1.26 -4.97 120.40 117.46 1bz0 s VAL 93 Ca 0.01 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 1bz0 s VAL 93 Cb -0.00 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 1bz0 s VAL 93 CO 0.79 0.06 1.49 -0.67 0.00 0.00 0.00 175.10 176.77 1bz0 n ASP 94 N 4.57 3.20 -0.25 3.32 -0.08 -1.26 -4.83 116.55 121.22 1bz0 n ASP 94 Ca 0.10 1.14 0.28 0.00 -1.51 0.00 0.00 54.79 54.80 1bz0 n ASP 94 Cb 0.46 -1.49 0.66 0.00 2.34 0.00 0.00 41.12 43.08 1bz0 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bz0 h PRO 95 N 4.51 0.13 -0.70 -0.67 0.11 -2.00 -1.64 132.00 131.75 1bz0 h PRO 95 Ca -0.46 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.78 1bz0 h PRO 95 Cb 1.25 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1bz0 h PRO 95 CO 0.78 0.09 0.47 0.28 -0.21 0.00 0.00 178.00 179.41 1bz0 h VAL 96 N 0.13 0.81 0.00 3.15 2.07 -2.03 -2.45 116.25 117.93 1bz0 h VAL 96 Ca 0.49 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.85 1bz0 h VAL 96 Cb 1.71 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1bz0 h VAL 96 CO -0.08 0.07 -0.18 0.78 0.02 0.00 0.00 177.57 178.18 1bz0 h ASN 97 N 0.37 0.00 -0.07 0.57 4.21 -1.65 -2.74 115.58 116.28 1bz0 h ASN 97 Ca 0.34 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.81 1bz0 h ASN 97 Cb 0.80 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1bz0 h ASN 97 CO -0.10 0.18 -0.04 -0.26 -1.29 0.00 0.00 177.43 175.92 1bz0 h PHE 98 N 0.00 0.29 -0.22 1.19 -1.00 -1.62 -1.81 116.94 113.78 1bz0 h PHE 98 Ca -0.00 -0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.63 1bz0 h PHE 98 Cb 0.39 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1bz0 h PHE 98 CO 0.00 0.34 -0.40 1.57 -1.61 0.00 0.00 178.31 178.20 1bz0 h LYS 99 N 0.28 0.51 -0.19 1.51 2.10 -1.65 -1.29 116.57 117.83 1bz0 h LYS 99 Ca 0.06 -0.26 -0.07 0.00 -2.00 0.00 0.00 60.65 58.39 1bz0 h LYS 99 Cb 0.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1bz0 h LYS 99 CO 0.01 0.83 -0.15 -0.07 -2.00 0.00 0.00 179.45 178.07 1bz0 h LEU 100 N 0.42 0.46 -0.54 7.07 3.38 -1.45 -1.70 115.31 122.95 1bz0 h LEU 100 Ca 0.04 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1bz0 h LEU 100 Cb 0.89 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1bz0 h LEU 100 CO 0.08 0.81 0.20 0.25 0.09 0.00 0.00 178.44 179.87 1bz0 h LEU 101 N 0.11 0.76 -0.30 1.67 6.46 -1.25 -2.40 115.31 120.36 1bz0 h LEU 101 Ca 0.04 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1bz0 h LEU 101 Cb 0.67 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 1bz0 h LEU 101 CO 0.04 0.74 0.05 0.28 -0.62 0.00 0.00 178.44 178.92 1bz0 h SER 102 N 0.74 -0.01 -0.33 1.25 0.02 -1.17 0.98 113.55 115.02 1bz0 h SER 102 Ca 0.18 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1bz0 h SER 102 Cb 0.23 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1bz0 h SER 102 CO -0.01 0.03 0.10 -0.74 -1.14 0.00 0.00 176.83 175.07 1bz0 h HIS 103 N 0.15 0.18 -0.18 3.45 -0.00 -1.21 -0.91 115.15 116.63 1bz0 h HIS 103 Ca 0.14 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 1bz0 h HIS 103 Cb 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1bz0 h HIS 103 CO -0.18 0.07 -0.12 0.00 -0.00 0.00 0.00 177.93 177.70 1bz0 h LEU 105 N 0.28 0.84 -0.38 0.00 4.07 -0.38 -1.68 115.31 118.06 1bz0 h LEU 105 Ca 0.06 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.67 1bz0 h LEU 105 Cb 0.38 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1bz0 h LEU 105 CO 0.02 0.98 0.22 -0.07 -1.08 0.00 0.00 178.44 178.52 1bz0 h LEU 106 N 0.69 0.46 -0.98 1.67 3.38 -0.49 -0.56 115.31 119.48 1bz0 h LEU 106 Ca 0.12 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1bz0 h LEU 106 Cb 0.58 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1bz0 h LEU 106 CO 0.04 0.39 0.65 0.58 0.09 0.00 0.00 178.44 180.18 1bz0 h VAL 107 N 0.50 1.18 -0.38 1.22 2.07 -1.08 0.22 116.25 119.97 1bz0 h VAL 107 Ca 0.14 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1bz0 h VAL 107 Cb 0.02 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 1bz0 h VAL 107 CO -0.02 0.23 0.13 0.74 0.02 0.00 0.00 177.57 178.66 1bz0 h THR 108 N 1.26 1.21 -0.28 2.57 2.02 -0.89 -1.26 112.91 117.54 1bz0 h THR 108 Ca 0.39 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1bz0 h THR 108 Cb -0.02 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1bz0 h THR 108 CO -0.12 0.24 0.14 -0.07 0.37 0.00 0.00 175.52 176.08 1bz0 h LEU 109 N 0.47 0.36 -0.72 2.58 4.07 -0.69 -2.66 115.31 118.72 1bz0 h LEU 109 Ca 0.13 -0.12 0.09 0.00 0.08 0.00 0.00 57.88 58.06 1bz0 h LEU 109 Cb 0.24 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.82 1bz0 h LEU 109 CO -0.01 0.38 0.36 0.00 -1.08 0.00 0.00 178.44 178.09 1bz0 h ALA 110 N 1.00 0.99 0.00 1.53 0.00 -0.68 0.82 119.26 122.91 1bz0 h ALA 110 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bz0 h ALA 110 Cb 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bz0 h ALA 110 CO -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 1bz0 h ALA 111 N 1.43 1.00 0.00 0.00 0.00 -0.99 -3.30 119.26 117.41 1bz0 h ALA 111 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1bz0 h ALA 111 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bz0 h ALA 111 CO -0.27 0.01 -1.17 0.72 0.00 0.00 0.00 179.25 178.54 1bz0 n HIS 112 N -3.10 0.00 -3.21 0.00 -0.00 -0.83 -4.80 115.22 103.28 1bz0 n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1bz0 n HIS 112 Cb 0.30 -0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.11 1bz0 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1bz0 n LEU 113 N -1.65 3.63 0.05 2.41 4.77 0.22 -4.95 117.00 121.48 1bz0 n LEU 113 Ca -0.01 -5.46 -0.16 0.00 -0.03 0.00 0.00 56.01 50.35 1bz0 n LEU 113 Cb 0.16 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 1bz0 n LEU 113 CO 0.13 2.19 0.51 1.55 -1.33 0.00 0.00 177.39 180.44 1bz0 h PRO 114 N 3.63 -0.64 -0.92 3.23 0.13 -1.82 -0.94 132.00 134.67 1bz0 h PRO 114 Ca 0.16 0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.39 1bz0 h PRO 114 Cb 0.63 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.84 1bz0 h PRO 114 CO 0.79 -0.43 0.58 0.00 -0.23 0.00 0.00 178.00 178.71 1bz0 h ALA 115 N -0.44 1.27 0.00 -0.56 0.00 -1.93 -3.09 119.26 114.50 1bz0 h ALA 115 Ca 0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1bz0 h ALA 115 Cb 0.71 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bz0 h ALA 115 CO -0.36 0.35 -0.76 0.93 0.00 0.00 0.00 179.25 179.41 1bz0 h GLU 116 N 1.06 0.00 -3.10 0.00 4.39 -1.89 -3.39 114.58 111.64 1bz0 h GLU 116 Ca 0.40 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.48 1bz0 h GLU 116 Cb 0.16 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1bz0 h GLU 116 CO -0.17 0.63 3.61 0.34 -1.16 0.00 0.00 179.01 182.26 1bz0 n PHE 117 N -3.23 2.23 -1.68 4.33 7.35 -0.38 -4.75 117.46 121.33 1bz0 n PHE 117 Ca -0.00 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.52 1bz0 n PHE 117 Cb 0.81 -2.34 0.08 0.00 0.35 0.00 0.00 39.48 38.39 1bz0 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bz0 s THR 118 N 2.44 2.94 0.25 -2.13 -4.23 -1.26 -4.77 115.64 108.88 1bz0 s THR 118 Ca 0.64 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1bz0 s THR 118 Cb 0.16 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 71.09 1bz0 s THR 118 CO -0.05 -0.40 1.84 -0.65 -0.54 0.00 0.00 174.62 174.82 1bz0 h PRO 119 N -1.02 0.94 -0.69 3.99 0.11 -1.99 0.16 132.00 133.50 1bz0 h PRO 119 Ca -0.47 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1bz0 h PRO 119 Cb 1.28 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1bz0 h PRO 119 CO 0.62 0.62 0.15 0.00 -0.21 0.00 0.00 178.00 179.18 1bz0 h ALA 120 N 1.44 0.91 -0.33 -0.75 0.00 -1.96 -1.56 119.26 117.01 1bz0 h ALA 120 Ca 0.41 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1bz0 h ALA 120 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bz0 h ALA 120 CO -0.20 0.65 -0.44 0.28 0.00 0.00 0.00 179.25 179.53 1bz0 h VAL 121 N 1.04 1.28 -0.44 0.00 2.07 -1.69 -2.02 116.25 116.48 1bz0 h VAL 121 Ca 0.21 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1bz0 h VAL 121 Cb 0.39 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1bz0 h VAL 121 CO 0.01 0.53 0.25 -0.74 0.02 0.00 0.00 177.57 177.64 1bz0 h HIS 122 N 0.68 0.47 -0.35 1.57 6.17 -0.51 -0.05 115.15 123.13 1bz0 h HIS 122 Ca 0.04 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 1bz0 h HIS 122 Cb 1.03 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.79 1bz0 h HIS 122 CO 0.06 0.27 0.17 0.00 0.71 0.00 0.00 177.93 179.13 1bz0 h ALA 123 N 1.21 0.45 -0.73 5.26 0.00 -1.14 -0.71 119.26 123.59 1bz0 h ALA 123 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1bz0 h ALA 123 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1bz0 h ALA 123 CO -0.09 0.01 0.41 0.77 0.00 0.00 0.00 179.25 180.35 1bz0 h SER 124 N 0.43 0.90 -0.59 0.00 0.02 -0.96 -1.56 113.55 111.78 1bz0 h SER 124 Ca 0.12 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1bz0 h SER 124 Cb 0.12 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1bz0 h SER 124 CO -0.02 0.72 0.04 -0.07 -1.14 0.00 0.00 176.83 176.37 1bz0 h LEU 125 N 1.00 1.01 -0.39 5.07 3.38 -0.79 -0.52 115.31 124.07 1bz0 h LEU 125 Ca 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1bz0 h LEU 125 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1bz0 h LEU 125 CO -0.04 1.04 0.15 -0.78 0.09 0.00 0.00 178.44 178.90 1bz0 h ASP 126 N 0.96 0.54 -0.45 -0.43 3.58 -0.75 0.21 116.42 120.08 1bz0 h ASP 126 Ca 0.18 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bz0 h ASP 126 Cb 0.50 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1bz0 h ASP 126 CO 0.02 0.57 0.27 0.11 -2.88 0.00 0.00 179.24 177.33 1bz0 h LYS 127 N 0.48 0.61 0.08 0.28 1.57 -1.08 -1.55 116.57 116.96 1bz0 h LYS 127 Ca 0.13 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1bz0 h LYS 127 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1bz0 h LYS 127 CO -0.01 0.46 -0.10 0.35 -0.57 0.00 0.00 179.45 179.58 1bz0 h PHE 128 N 0.60 -0.25 -0.49 -1.35 3.57 -0.78 -0.42 116.94 117.82 1bz0 h PHE 128 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1bz0 h PHE 128 Cb 0.00 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1bz0 h PHE 128 CO -0.03 -0.15 0.20 -0.07 -2.23 0.00 0.00 178.31 176.03 1bz0 h LEU 129 N -0.21 0.63 -0.87 0.59 3.38 -0.86 -0.17 115.31 117.80 1bz0 h LEU 129 Ca 0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1bz0 h LEU 129 Cb 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1bz0 h LEU 129 CO -0.04 0.56 0.26 0.00 0.09 0.00 0.00 178.44 179.31 1bz0 h ALA 130 N 1.53 1.10 -0.38 1.53 0.00 -0.90 -0.20 119.26 121.94 1bz0 h ALA 130 Ca 0.17 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1bz0 h ALA 130 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1bz0 h ALA 130 CO -0.02 0.63 -0.15 0.77 0.00 0.00 0.00 179.25 180.49 1bz0 h SER 131 N 1.06 0.79 -0.28 0.00 0.02 -0.16 -0.43 113.55 114.55 1bz0 h SER 131 Ca 0.24 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1bz0 h SER 131 Cb 0.24 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1bz0 h SER 131 CO -0.02 1.00 0.15 0.58 -1.14 0.00 0.00 176.83 177.41 1bz0 h VAL 132 N 0.58 1.02 -0.78 2.27 2.07 -0.85 -1.64 116.25 118.91 1bz0 h VAL 132 Ca 0.09 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1bz0 h VAL 132 Cb 0.68 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1bz0 h VAL 132 CO 0.05 0.06 0.50 0.28 0.02 0.00 0.00 177.57 178.48 1bz0 h SER 133 N 0.31 0.84 -0.51 0.57 0.02 -0.85 0.28 113.55 114.21 1bz0 h SER 133 Ca 0.11 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1bz0 h SER 133 Cb 0.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1bz0 h SER 133 CO -0.06 0.59 0.33 0.74 -1.14 0.00 0.00 176.83 177.29 1bz0 h THR 134 N 0.99 1.14 -0.05 -2.27 2.02 -0.84 -2.26 112.91 111.64 1bz0 h THR 134 Ca 0.31 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1bz0 h THR 134 Cb -0.02 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1bz0 h THR 134 CO -0.10 0.13 0.03 0.58 0.37 0.00 0.00 175.52 176.53 1bz0 h VAL 135 N 0.69 1.07 0.00 3.16 2.07 -0.72 -1.53 116.25 120.99 1bz0 h VAL 135 Ca 0.19 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1bz0 h VAL 135 Cb -0.07 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1bz0 h VAL 135 CO -0.04 0.06 -0.02 -0.07 0.02 0.00 0.00 177.57 177.52 1bz0 h LEU 136 N -0.00 0.00 -2.08 2.57 3.38 -0.76 -2.40 115.31 116.02 1bz0 h LEU 136 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bz0 h LEU 136 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1bz0 h LEU 136 CO -0.00 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1bz0 n THR 137 N -3.48 0.40 0.29 0.22 -2.24 -0.87 -4.53 114.28 104.07 1bz0 n THR 137 Ca -0.03 -0.70 0.16 0.00 -2.27 0.00 0.00 64.05 61.21 1bz0 n THR 137 Cb 0.12 0.99 0.87 0.00 -2.10 0.00 0.00 70.33 70.20 1bz0 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bz0 h SER 138 N 2.83 0.00 -0.43 3.42 4.64 -0.74 -2.76 113.55 120.51 1bz0 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bz0 h SER 138 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1bz0 h SER 138 CO 0.00 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1bz0 n LYS 139 N -3.53 3.44 0.02 4.77 5.02 -1.26 -4.63 118.16 121.99 1bz0 n LYS 139 Ca -0.02 -2.76 0.02 0.00 -2.02 0.00 0.00 58.31 53.53 1bz0 n LYS 139 Cb 0.17 -1.81 0.35 0.00 -0.02 0.00 0.00 35.03 33.73 1bz0 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1bz0 h TYR 140 N 2.79 0.48 0.00 2.13 -1.99 -1.81 -3.46 116.97 115.10 1bz0 h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1bz0 h TYR 140 Cb 1.39 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1bz0 h TYR 140 CO 0.61 0.44 0.00 2.89 -0.00 0.00 0.00 178.16 182.10