#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 4.17 0.91 7.52 1.43 -1.26 -5.04 118.68 126.41 1bz0 s LEU 2 Ca 0.00 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 1bz0 s LEU 2 Cb 0.00 -3.22 0.14 0.00 0.03 0.00 0.00 46.19 43.14 1bz0 s LEU 2 CO 0.00 -0.39 1.15 -0.94 0.23 0.00 0.00 176.35 176.40 1bz0 s SER 3 N 1.16 3.54 0.28 2.29 1.04 -1.26 -4.86 113.70 115.90 1bz0 s SER 3 Ca 0.38 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.69 1bz0 s SER 3 Cb -0.16 -1.43 0.40 0.00 0.10 0.00 0.00 66.02 64.92 1bz0 s SER 3 CO 0.12 -2.52 1.86 -0.65 0.98 0.00 0.00 173.24 173.03 1bz0 h PRO 4 N -1.48 0.92 -0.62 4.02 0.11 -1.99 -1.36 132.00 131.59 1bz0 h PRO 4 Ca -0.50 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 65.43 1bz0 h PRO 4 Cb 1.33 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1bz0 h PRO 4 CO 0.61 0.75 0.22 0.00 -0.21 0.00 0.00 178.00 179.37 1bz0 h ALA 5 N 1.37 0.81 -0.29 -0.75 0.00 -1.99 0.04 119.26 118.45 1bz0 h ALA 5 Ca 0.21 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1bz0 h ALA 5 Cb 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1bz0 h ALA 5 CO -0.02 0.45 0.07 -0.44 0.00 0.00 0.00 179.25 179.32 1bz0 h ASP 6 N 0.88 0.05 -0.60 0.00 3.32 -1.64 -1.10 116.42 117.34 1bz0 h ASP 6 Ca 0.20 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1bz0 h ASP 6 Cb 0.25 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1bz0 h ASP 6 CO -0.01 0.06 0.36 0.11 -1.72 0.00 0.00 179.24 178.04 1bz0 h LYS 7 N 0.19 0.82 -0.58 3.56 1.57 -0.73 -1.03 116.57 120.38 1bz0 h LYS 7 Ca 0.13 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1bz0 h LYS 7 Cb 0.12 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1bz0 h LYS 7 CO -0.16 0.59 0.04 1.15 -0.57 0.00 0.00 179.45 180.49 1bz0 h THR 8 N 0.84 1.26 -0.43 -0.16 2.02 -0.52 -1.22 112.91 114.70 1bz0 h THR 8 Ca 0.22 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1bz0 h THR 8 Cb -0.02 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1bz0 h THR 8 CO -0.04 0.39 0.16 0.78 0.37 0.00 0.00 175.52 177.18 1bz0 h ASN 9 N 0.89 0.60 -0.18 4.18 2.35 -0.56 -2.01 115.58 120.86 1bz0 h ASN 9 Ca 0.17 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1bz0 h ASN 9 Cb 0.50 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1bz0 h ASN 9 CO 0.02 0.62 0.08 0.58 -1.65 0.00 0.00 177.43 177.08 1bz0 h VAL 10 N 0.55 1.13 -0.89 2.81 2.07 -1.09 -0.30 116.25 120.52 1bz0 h VAL 10 Ca 0.14 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1bz0 h VAL 10 Cb 0.21 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1bz0 h VAL 10 CO -0.01 0.12 0.59 0.11 0.02 0.00 0.00 177.57 178.40 1bz0 h LYS 11 N 0.16 1.16 0.08 1.57 1.57 -1.14 0.23 116.57 120.19 1bz0 h LYS 11 Ca 0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bz0 h LYS 11 Cb 0.12 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1bz0 h LYS 11 CO -0.01 0.77 -0.04 0.00 -0.57 0.00 0.00 179.45 179.60 1bz0 h ALA 12 N 1.34 -0.11 -0.38 3.86 0.00 -1.27 -1.07 119.26 121.63 1bz0 h ALA 12 Ca 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1bz0 h ALA 12 Cb -0.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1bz0 h ALA 12 CO -0.08 -0.41 0.16 0.00 0.00 0.00 0.00 179.25 178.92 1bz0 h ALA 13 N 0.47 0.50 -0.55 0.00 0.00 -0.69 -2.64 119.26 116.35 1bz0 h ALA 13 Ca -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1bz0 h ALA 13 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1bz0 h ALA 13 CO 0.02 0.09 0.13 2.35 0.00 0.00 0.00 179.25 181.84 1bz0 h TRP 14 N 0.47 0.87 -0.83 0.00 2.91 -0.58 -2.51 115.95 116.28 1bz0 h TRP 14 Ca 0.13 -0.08 0.05 0.00 1.13 0.00 0.00 58.89 60.12 1bz0 h TRP 14 Cb 0.17 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 28.51 1bz0 h TRP 14 CO -0.00 0.73 0.52 0.78 -1.03 0.00 0.00 178.44 179.44 1bz0 h GLY 15 N 0.97 1.24 1.50 2.65 0.00 -1.01 -1.53 103.07 106.89 1bz0 h GLY 15 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1bz0 h GLY 15 CO -0.00 0.29 0.00 1.70 0.00 0.00 0.00 176.54 178.53 1bz0 h LYS 16 N 0.98 0.62 0.08 4.80 3.11 -1.10 -2.73 116.57 122.32 1bz0 h LYS 16 Ca 0.35 -0.14 0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1bz0 h LYS 16 Cb 0.11 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1bz0 h LYS 16 CO -0.15 0.64 -0.16 0.28 -2.81 0.00 0.00 179.45 177.24 1bz0 h VAL 17 N 0.59 0.62 0.00 2.00 2.07 -0.96 -3.44 116.25 117.12 1bz0 h VAL 17 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1bz0 h VAL 17 Cb 0.37 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 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 -1.29 3.99 0.05 2.17 0.00 -0.78 -1.63 105.19 107.70 1bz0 n GLY 18 Ca -0.06 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1bz0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bz0 n ALA 19 N 12.49 1.96 1.19 4.61 0.00 -1.26 -2.97 120.51 136.53 1bz0 n ALA 19 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1bz0 n ALA 19 Cb 0.00 -1.38 0.37 0.00 0.00 0.00 0.00 19.45 18.45 1bz0 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bz0 n HIS 20 N -1.79 0.20 -0.13 0.00 -0.00 -0.64 -4.47 115.22 108.40 1bz0 n HIS 20 Ca 0.05 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.72 57.62 1bz0 n HIS 20 Cb 0.28 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.28 1bz0 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bz0 h ALA 21 N 4.13 0.28 -0.41 -1.41 0.00 -1.70 0.27 119.26 120.42 1bz0 h ALA 21 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1bz0 h ALA 21 Cb 0.53 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1bz0 h ALA 21 CO 0.00 -0.45 0.04 0.78 0.00 0.00 0.00 179.25 179.62 1bz0 h GLY 22 N 0.00 0.68 1.05 0.00 0.00 -1.83 0.12 103.07 103.08 1bz0 h GLY 22 Ca 0.20 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1bz0 h GLY 22 CO -0.42 0.37 -0.25 -2.09 0.00 0.00 0.00 176.54 174.15 1bz0 h GLU 23 N 0.61 0.86 -0.57 4.80 4.81 -1.74 -1.75 114.58 121.60 1bz0 h GLU 23 Ca 0.13 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 1bz0 h GLU 23 Cb 0.32 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1bz0 h GLU 23 CO 0.01 1.04 0.03 1.88 -0.73 0.00 0.00 179.01 181.24 1bz0 h TYR 24 N 0.67 1.02 -0.35 0.92 -1.99 -0.67 -1.54 116.97 115.03 1bz0 h TYR 24 Ca 0.08 -0.15 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1bz0 h TYR 24 Cb 0.82 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 1bz0 h TYR 24 CO 0.06 0.90 0.21 0.78 -0.00 0.00 0.00 178.16 180.12 1bz0 h GLY 25 N 1.01 0.49 0.98 3.88 0.00 -0.57 -0.89 103.07 107.97 1bz0 h GLY 25 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1bz0 h GLY 25 CO 0.02 0.15 0.24 0.00 0.00 0.00 0.00 176.54 176.96 1bz0 h ALA 26 N 1.15 0.66 -0.72 3.60 0.00 -1.15 -2.26 119.26 120.53 1bz0 h ALA 26 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1bz0 h ALA 26 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bz0 h ALA 26 CO -0.05 0.22 0.22 1.49 0.00 0.00 0.00 179.25 181.13 1bz0 h GLU 27 N 0.68 1.12 -0.75 0.00 4.81 -1.02 -1.85 114.58 117.57 1bz0 h GLU 27 Ca 0.18 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1bz0 h GLU 27 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1bz0 h GLU 27 CO -0.02 0.95 0.34 0.00 -0.73 0.00 0.00 179.01 179.55 1bz0 h ALA 28 N 1.16 0.97 -0.36 2.92 0.00 -1.00 0.10 119.26 123.06 1bz0 h ALA 28 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bz0 h ALA 28 Cb 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bz0 h ALA 28 CO -0.01 0.55 0.16 -0.07 0.00 0.00 0.00 179.25 179.88 1bz0 h LEU 29 N 1.06 0.48 -0.90 0.00 3.38 -1.18 -0.73 115.31 117.42 1bz0 h LEU 29 Ca 0.25 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1bz0 h LEU 29 Cb 0.15 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1bz0 h LEU 29 CO -0.03 0.49 0.59 -0.08 0.09 0.00 0.00 178.44 179.50 1bz0 h GLU 30 N 0.43 1.19 -0.71 1.13 4.81 -0.97 -0.12 114.58 120.34 1bz0 h GLU 30 Ca 0.12 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1bz0 h GLU 30 Cb 0.14 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1bz0 h GLU 30 CO -0.01 0.79 0.42 0.00 -0.73 0.00 0.00 179.01 179.48 1bz0 h ARG 31 N 1.22 0.97 -0.26 1.92 3.08 -0.60 -1.98 114.38 118.73 1bz0 h ARG 31 Ca 0.33 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1bz0 h ARG 31 Cb -0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 1bz0 h ARG 31 CO -0.07 0.69 0.11 1.98 -1.07 0.00 0.00 179.97 181.61 1bz0 h MET 32 N 0.97 0.39 -0.44 0.04 4.05 -0.38 0.40 114.93 119.95 1bz0 h MET 32 Ca 0.25 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1bz0 h MET 32 Cb -0.02 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1bz0 h MET 32 CO -0.05 0.43 0.27 0.74 0.23 0.00 0.00 176.91 178.53 1bz0 h PHE 33 N 0.28 0.57 0.19 1.39 0.04 -0.90 0.64 116.94 119.14 1bz0 h PHE 33 Ca 0.09 0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.61 1bz0 h PHE 33 Cb 0.18 -0.19 0.03 0.00 2.20 0.00 0.00 35.95 38.17 1bz0 h PHE 33 CO -0.01 0.38 -1.13 -0.07 -0.60 0.00 0.00 178.31 176.88 1bz0 h LEU 34 N 0.61 0.62 -0.01 1.54 3.38 -1.25 -3.30 115.31 116.90 1bz0 h LEU 34 Ca 0.16 -0.94 -0.25 0.00 0.09 0.00 0.00 57.88 56.95 1bz0 h LEU 34 Cb -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1bz0 h LEU 34 CO -0.03 1.54 -1.11 0.28 0.09 0.00 0.00 178.44 179.22 1bz0 h SER 35 N -0.16 0.42 -2.59 -0.43 0.02 -0.72 -3.40 113.55 106.69 1bz0 h SER 35 Ca -0.20 -0.40 -0.60 0.00 -0.84 0.00 0.00 61.79 59.75 1bz0 h SER 35 Cb 1.87 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.87 1bz0 h SER 35 CO 0.20 1.26 -0.76 0.49 -1.14 0.00 0.00 176.83 176.88 1bz0 n PHE 36 N -3.60 1.67 0.30 3.45 3.72 0.20 -4.99 117.46 118.21 1bz0 n PHE 36 Ca -0.07 -3.90 0.19 0.00 -0.05 0.00 0.00 57.45 53.61 1bz0 n PHE 36 Cb 0.94 -0.32 1.02 0.00 -0.94 0.00 0.00 39.48 40.18 1bz0 n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bz0 h PRO 37 N 5.09 0.00 0.00 -1.08 0.13 -1.73 -0.57 132.00 133.84 1bz0 h PRO 37 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1bz0 h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1bz0 h PRO 37 CO 0.61 0.00 -0.01 1.79 -0.23 0.00 0.00 178.00 180.15 1bz0 h THR 38 N 0.00 0.08 0.00 1.56 1.35 -1.91 -1.67 112.91 112.32 1bz0 h THR 38 Ca 0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1bz0 h THR 38 Cb 0.13 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1bz0 h THR 38 CO -0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1bz0 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.42 -2.53 112.91 117.13 1bz0 h THR 39 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1bz0 h THR 39 Cb 0.18 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1bz0 h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1bz0 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.49 -2.71 116.57 118.66 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 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 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 0.03 -0.01 -0.16 1.35 -1.63 -0.49 112.91 112.00 1bz0 h THR 41 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1bz0 h THR 41 Cb 0.26 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1bz0 h THR 41 CO 0.00 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.80 1bz0 n TYR 42 N -3.11 0.00 -2.36 4.73 4.01 -1.02 -4.36 117.16 115.05 1bz0 n TYR 42 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1bz0 n TYR 42 Cb 0.13 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.62 2.65 0.34 -0.72 3.01 -0.19 -4.85 117.46 117.08 1bz0 n PHE 43 Ca 0.12 -2.61 0.15 0.00 1.01 0.00 0.00 57.45 56.12 1bz0 n PHE 43 Cb 0.35 -0.23 0.60 0.00 -0.01 0.00 0.00 39.48 40.18 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 2.47 0.00 -0.03 -1.08 0.13 -1.76 -2.77 132.00 128.97 1bz0 h PRO 44 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1bz0 h PRO 44 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1bz0 h PRO 44 CO 0.70 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.08 1bz0 n HIS 45 N -2.66 0.02 -4.11 1.56 1.44 -1.26 -4.91 115.22 105.30 1bz0 n HIS 45 Ca 0.01 -0.01 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1bz0 n HIS 45 Cb 0.26 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.98 3.05 -0.43 -1.40 0.40 -1.05 -5.07 117.98 111.50 1bz0 s PHE 46 Ca 0.38 0.01 -0.26 0.00 -0.60 0.00 0.00 56.93 56.46 1bz0 s PHE 46 Cb 0.21 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 42.20 1bz0 s PHE 46 CO 0.33 0.49 0.94 0.34 0.70 0.00 0.00 175.22 178.02 1bz0 s ASP 47 N -2.30 6.57 -0.00 1.36 2.15 -1.26 -4.89 116.67 118.30 1bz0 s ASP 47 Ca 0.26 0.30 0.18 0.00 0.43 0.00 0.00 52.55 53.72 1bz0 s ASP 47 Cb -0.12 -2.46 0.51 0.00 -0.30 0.00 0.00 42.92 40.55 1bz0 s ASP 47 CO 0.19 -1.00 1.42 0.18 -0.17 0.00 0.00 175.17 175.79 1bz0 n LEU 48 N 7.08 3.09 -4.75 -1.34 4.77 -1.26 -4.45 117.00 120.14 1bz0 n LEU 48 Ca 0.07 -1.55 -0.38 0.00 -0.03 0.00 0.00 56.01 54.12 1bz0 n LEU 48 Cb 0.48 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1bz0 n LEU 48 CO 0.63 0.77 0.97 -0.94 -1.33 0.00 0.00 177.39 177.48 1bz0 s SER 49 N -1.00 5.18 0.11 -1.43 1.04 -1.26 -4.88 113.70 111.46 1bz0 s SER 49 Ca 0.38 2.73 -0.34 0.00 0.48 0.00 0.00 55.95 59.20 1bz0 s SER 49 Cb 0.20 -2.63 -0.14 0.00 0.10 0.00 0.00 66.02 63.55 1bz0 s SER 49 CO 0.26 -1.63 1.61 1.57 0.98 0.00 0.00 173.24 176.03 1bz0 n HIS 50 N -1.17 2.21 -1.01 5.02 -0.00 -1.26 -1.76 115.22 117.26 1bz0 n HIS 50 Ca 0.11 0.26 -0.00 0.00 0.46 0.00 0.00 57.72 58.55 1bz0 n HIS 50 Cb 0.46 -2.54 -0.00 0.00 -0.12 0.00 0.00 29.99 27.78 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 3.51 0.44 3.69 1.57 0.00 -1.26 -5.02 105.19 108.13 1bz0 n GLY 51 Ca 0.18 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1bz0 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bz0 n SER 52 N -0.01 2.24 0.23 1.61 3.41 -0.72 -4.80 113.62 115.57 1bz0 n SER 52 Ca -0.00 1.02 0.06 0.00 -0.26 0.00 0.00 58.87 59.69 1bz0 n SER 52 Cb 0.09 -1.50 0.52 0.00 -0.26 0.00 0.00 64.21 63.07 1bz0 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bz0 h ALA 53 N 1.63 1.75 -0.36 7.33 0.00 -1.91 -1.01 119.26 126.69 1bz0 h ALA 53 Ca -0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1bz0 h ALA 53 Cb 1.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1bz0 h ALA 53 CO 0.58 0.19 0.15 1.96 0.00 0.00 0.00 179.25 182.12 1bz0 h GLN 54 N 0.01 0.53 -0.29 0.00 4.20 -1.89 0.28 115.11 117.95 1bz0 h GLN 54 Ca 0.00 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1bz0 h GLN 54 Cb 0.26 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1bz0 h GLN 54 CO 0.02 0.51 -0.25 0.28 -0.67 0.00 0.00 178.83 178.72 1bz0 h VAL 55 N 0.43 1.30 -0.29 -0.54 2.07 -1.67 -0.24 116.25 117.32 1bz0 h VAL 55 Ca 0.12 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1bz0 h VAL 55 Cb 0.18 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1bz0 h VAL 55 CO -0.01 0.45 0.18 0.11 0.02 0.00 0.00 177.57 178.32 1bz0 h LYS 56 N 0.42 0.35 -0.48 1.57 1.57 -1.09 0.21 116.57 119.12 1bz0 h LYS 56 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1bz0 h LYS 56 Cb 0.81 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1bz0 h LYS 56 CO 0.06 0.23 0.27 0.78 -0.57 0.00 0.00 179.45 180.22 1bz0 h GLY 57 N 0.36 0.71 0.99 3.86 0.00 -0.40 -2.04 103.07 106.56 1bz0 h GLY 57 Ca 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1bz0 h GLY 57 CO -0.04 0.31 0.16 0.84 0.00 0.00 0.00 176.54 177.80 1bz0 h HIS 58 N 0.63 0.91 -0.80 5.60 -0.00 -0.80 -2.20 115.15 118.49 1bz0 h HIS 58 Ca 0.17 -0.10 0.12 0.00 -0.00 0.00 0.00 60.37 60.56 1bz0 h HIS 58 Cb 0.05 -0.26 -0.08 0.00 -0.00 0.00 0.00 27.41 27.11 1bz0 h HIS 58 CO -0.02 0.78 0.41 0.78 -0.00 0.00 0.00 177.93 179.87 1bz0 h GLY 59 N 0.78 1.25 0.96 5.26 0.00 -0.40 0.12 103.07 111.05 1bz0 h GLY 59 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1bz0 h GLY 59 CO -0.00 0.01 0.16 1.70 0.00 0.00 0.00 176.54 178.41 1bz0 h LYS 60 N 0.63 0.73 -0.56 4.80 1.63 -1.14 -0.87 116.57 121.79 1bz0 h LYS 60 Ca 0.42 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1bz0 h LYS 60 Cb 0.52 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 1bz0 h LYS 60 CO -0.32 0.68 0.06 0.87 -3.45 0.00 0.00 179.45 177.28 1bz0 h LYS 61 N 0.63 0.95 -0.33 1.90 1.57 -0.69 -0.41 116.57 120.19 1bz0 h LYS 61 Ca 0.16 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1bz0 h LYS 61 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1bz0 h LYS 61 CO -0.01 0.93 0.14 0.28 -0.57 0.00 0.00 179.45 180.22 1bz0 h VAL 62 N 0.84 1.18 -0.47 0.50 2.07 -0.63 -2.34 116.25 117.39 1bz0 h VAL 62 Ca 0.17 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1bz0 h VAL 62 Cb 0.46 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1bz0 h VAL 62 CO 0.02 0.19 0.26 0.00 0.02 0.00 0.00 177.57 178.06 1bz0 h ALA 63 N 0.98 0.60 -0.63 1.67 0.00 -0.84 -1.94 119.26 119.10 1bz0 h ALA 63 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bz0 h ALA 63 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1bz0 h ALA 63 CO -0.01 -0.08 0.38 -0.44 0.00 0.00 0.00 179.25 179.10 1bz0 h ASP 64 N 0.51 0.76 -0.86 0.00 3.32 -1.00 0.75 116.42 119.90 1bz0 h ASP 64 Ca 0.20 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1bz0 h ASP 64 Cb 0.07 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1bz0 h ASP 64 CO -0.12 0.60 0.57 0.00 -1.72 0.00 0.00 179.24 178.57 1bz0 h ALA 65 N 1.19 1.10 -0.63 3.45 0.00 -1.09 -0.38 119.26 122.91 1bz0 h ALA 65 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1bz0 h ALA 65 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1bz0 h ALA 65 CO -0.04 0.48 0.05 -0.07 0.00 0.00 0.00 179.25 179.67 1bz0 h LEU 66 N 1.16 1.04 -0.64 0.00 4.07 -0.79 -0.81 115.31 119.33 1bz0 h LEU 66 Ca 0.32 -0.28 0.02 0.00 0.08 0.00 0.00 57.88 58.02 1bz0 h LEU 66 Cb -0.11 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.31 1bz0 h LEU 66 CO -0.08 1.07 0.40 0.74 -1.08 0.00 0.00 178.44 179.49 1bz0 h THR 67 N 0.98 1.11 -0.47 0.22 2.02 -0.35 -0.17 112.91 116.25 1bz0 h THR 67 Ca 0.18 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1bz0 h THR 67 Cb 0.50 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1bz0 h THR 67 CO 0.02 0.15 0.23 -1.13 0.37 0.00 0.00 175.52 175.16 1bz0 h ASN 68 N 0.81 0.33 -0.33 4.18 -1.24 -0.76 -0.00 115.58 118.57 1bz0 h ASN 68 Ca 0.25 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 57.18 1bz0 h ASN 68 Cb -0.02 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1bz0 h ASN 68 CO -0.09 0.24 -0.18 0.00 -1.29 0.00 0.00 177.43 176.11 1bz0 h ALA 69 N 1.26 0.90 -0.49 1.57 0.00 -0.63 -1.40 119.26 120.47 1bz0 h ALA 69 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1bz0 h ALA 69 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bz0 h ALA 69 CO -0.15 0.62 0.10 0.28 0.00 0.00 0.00 179.25 180.11 1bz0 h VAL 70 N 0.70 1.24 -0.71 0.00 2.07 -0.64 -0.43 116.25 118.49 1bz0 h VAL 70 Ca 0.11 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.79 1bz0 h VAL 70 Cb 0.68 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1bz0 h VAL 70 CO 0.05 0.31 0.47 0.00 0.02 0.00 0.00 177.57 178.42 1bz0 h ALA 71 N 0.98 1.63 -1.07 1.67 0.00 -0.74 -3.01 119.26 118.72 1bz0 h ALA 71 Ca 0.15 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.48 1bz0 h ALA 71 Cb 0.36 -0.22 -0.42 0.00 0.00 0.00 0.00 17.79 17.50 1bz0 h ALA 71 CO 0.01 0.28 -0.80 0.72 0.00 0.00 0.00 179.25 179.46 1bz0 n HIS 72 N -4.46 2.97 0.30 0.00 8.25 -0.55 -4.84 115.22 116.88 1bz0 n HIS 72 Ca 0.09 -2.61 0.18 0.00 -0.26 0.00 0.00 57.72 55.12 1bz0 n HIS 72 Cb 0.16 -0.23 0.96 0.00 1.12 0.00 0.00 29.99 32.00 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 2.45 0.27 0.00 1.59 3.04 -0.94 -1.47 116.25 121.19 1bz0 h VAL 73 Ca 0.32 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1bz0 h VAL 73 Cb 1.26 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 1bz0 h VAL 73 CO 0.78 0.03 -0.34 0.47 -1.01 0.00 0.00 177.57 177.50 1bz0 n ASP 74 N -3.40 0.59 -3.12 3.17 8.00 -1.26 -4.32 116.55 116.21 1bz0 n ASP 74 Ca -0.02 0.24 -0.17 0.00 0.71 0.00 0.00 54.79 55.54 1bz0 n ASP 74 Cb 0.14 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.96 0.29 -0.19 -2.24 2.03 -0.58 -4.98 116.55 108.92 1bz0 n ASP 75 Ca 0.05 -3.09 -0.08 0.00 0.52 0.00 0.00 54.79 52.19 1bz0 n ASP 75 Cb 0.40 -0.23 0.02 0.00 -0.72 0.00 0.00 41.12 40.59 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 3.09 0.83 -0.63 -0.67 2.86 -1.67 -1.89 114.93 116.85 1bz0 h MET 76 Ca 0.07 -0.17 0.12 0.00 -2.06 0.00 0.00 59.70 57.65 1bz0 h MET 76 Cb 0.98 -0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.43 1bz0 h MET 76 CO 0.44 0.75 0.18 -1.35 1.06 0.00 0.00 176.91 177.99 1bz0 h PRO 77 N 0.75 0.31 -0.13 -0.22 0.11 -1.93 0.15 132.00 131.03 1bz0 h PRO 77 Ca 0.18 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 1bz0 h PRO 77 Cb 0.25 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.30 1bz0 h PRO 77 CO -0.01 0.20 -0.77 -0.91 -0.21 0.00 0.00 178.00 176.31 1bz0 h ASN 78 N 0.32 0.90 -0.75 -2.05 4.21 -1.92 -2.70 115.58 113.58 1bz0 h ASN 78 Ca 0.33 -0.64 0.02 0.00 1.21 0.00 0.00 56.30 57.22 1bz0 h ASN 78 Cb 0.49 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.38 1bz0 h ASN 78 CO -0.39 1.40 0.49 0.00 -1.29 0.00 0.00 177.43 177.65 1bz0 h ALA 79 N 0.52 0.96 -0.64 -0.83 0.00 -0.57 -2.87 119.26 115.83 1bz0 h ALA 79 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bz0 h ALA 79 Cb 1.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bz0 h ALA 79 CO 0.16 0.34 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1bz0 n LEU 80 N -4.58 4.83 -0.22 0.00 4.77 0.45 -4.71 117.00 117.54 1bz0 n LEU 80 Ca 0.08 -2.44 -0.07 0.00 -0.03 0.00 0.00 56.01 53.54 1bz0 n LEU 80 Cb 0.04 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.51 1bz0 n LEU 80 CO 0.35 0.78 0.58 -1.28 -1.33 0.00 0.00 177.39 176.50 1bz0 h SER 81 N 4.07 -1.44 -0.85 -1.43 0.87 -1.24 0.20 113.55 113.72 1bz0 h SER 81 Ca 0.00 0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1bz0 h SER 81 Cb 1.50 0.67 -0.05 0.00 -0.44 0.00 0.00 62.40 64.08 1bz0 h SER 81 CO 0.26 -0.32 0.56 0.00 -0.53 0.00 0.00 176.83 176.79 1bz0 h ALA 82 N 0.74 1.10 -0.25 6.23 0.00 -1.84 -1.01 119.26 124.23 1bz0 h ALA 82 Ca 0.20 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1bz0 h ALA 82 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bz0 h ALA 82 CO -0.71 0.43 -0.41 1.25 0.00 0.00 0.00 179.25 179.81 1bz0 h LEU 83 N 1.11 0.65 -0.64 0.00 5.85 -1.57 -1.65 115.31 119.05 1bz0 h LEU 83 Ca 0.33 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1bz0 h LEU 83 Cb -0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1bz0 h LEU 83 CO -0.09 0.98 0.35 -1.28 -0.34 0.00 0.00 178.44 178.06 1bz0 h SER 84 N 0.50 0.81 -0.35 1.25 0.87 -0.12 -1.62 113.55 114.88 1bz0 h SER 84 Ca 0.04 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1bz0 h SER 84 Cb 0.93 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1bz0 h SER 84 CO 0.08 0.67 -0.08 0.44 -0.53 0.00 0.00 176.83 177.41 1bz0 h ASP 85 N 0.88 0.68 -0.64 6.23 3.32 -0.88 -2.02 116.42 123.99 1bz0 h ASP 85 Ca 0.23 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1bz0 h ASP 85 Cb 0.05 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1bz0 h ASP 85 CO -0.04 0.89 0.40 0.25 -1.72 0.00 0.00 179.24 179.02 1bz0 h LEU 86 N 0.47 0.67 -0.23 1.55 5.85 -1.13 0.19 115.31 122.68 1bz0 h LEU 86 Ca 0.09 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1bz0 h LEU 86 Cb 0.59 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1bz0 h LEU 86 CO 0.03 0.47 -0.49 0.45 -0.34 0.00 0.00 178.44 178.57 1bz0 h HIS 87 N 0.80 0.94 -0.37 1.25 3.86 -1.29 -0.02 115.15 120.33 1bz0 h HIS 87 Ca 0.25 -0.35 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 1bz0 h HIS 87 Cb -0.01 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1bz0 h HIS 87 CO -0.04 1.14 -0.14 0.00 0.86 0.00 0.00 177.93 179.75 1bz0 h ALA 88 N 0.63 0.51 0.00 2.45 0.00 -1.09 0.32 119.26 122.07 1bz0 h ALA 88 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1bz0 h ALA 88 Cb 1.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1bz0 h ALA 88 CO 0.11 0.42 -2.05 0.72 0.00 0.00 0.00 179.25 178.44 1bz0 n HIS 89 N -4.33 0.00 0.00 0.00 8.25 0.66 -4.57 115.22 115.23 1bz0 n HIS 89 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1bz0 n HIS 89 Cb 0.39 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 1bz0 n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1bz0 n LYS 90 N -2.37 0.17 -0.07 -0.41 4.76 -0.51 -4.85 118.16 114.88 1bz0 n LYS 90 Ca -0.13 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.26 1bz0 n LYS 90 Cb 0.72 -0.75 -0.05 0.00 -1.84 0.00 0.00 35.03 33.11 1bz0 n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bz0 h LEU 91 N -0.31 0.35 -1.62 -0.35 3.38 -1.14 -3.47 115.31 112.14 1bz0 h LEU 91 Ca 0.00 -0.32 -0.43 0.00 0.09 0.00 0.00 57.88 57.22 1bz0 h LEU 91 Cb 0.31 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 41.00 1bz0 h LEU 91 CO 0.00 0.59 -0.82 0.54 0.09 0.00 0.00 178.44 178.84 1bz0 n ARG 92 N -4.68 -4.98 -2.45 1.13 1.74 0.11 -4.94 116.66 102.59 1bz0 n ARG 92 Ca -0.04 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 1bz0 n ARG 92 Cb 0.24 -5.21 -0.03 0.00 -1.02 0.00 0.00 32.46 26.43 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 -3.61 4.08 0.30 1.55 1.01 -1.26 -4.97 120.40 117.51 1bz0 s VAL 93 Ca 0.14 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 1bz0 s VAL 93 Cb -0.07 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 1bz0 s VAL 93 CO 0.82 0.13 1.47 -0.67 0.00 0.00 0.00 175.10 176.84 1bz0 n ASP 94 N 3.84 3.33 -0.02 3.32 -0.08 -1.26 -4.83 116.55 120.86 1bz0 n ASP 94 Ca 0.08 1.17 0.23 0.00 -1.51 0.00 0.00 54.79 54.76 1bz0 n ASP 94 Cb 0.47 -1.53 0.72 0.00 2.34 0.00 0.00 41.12 43.12 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 3.92 0.00 -0.69 -0.67 0.11 -2.00 -2.12 132.00 130.55 1bz0 h PRO 95 Ca -0.47 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1bz0 h PRO 95 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1bz0 h PRO 95 CO 0.73 0.00 0.46 0.28 -0.21 0.00 0.00 178.00 179.25 1bz0 h VAL 96 N 0.00 0.92 0.00 3.15 2.07 -2.04 -2.23 116.25 118.12 1bz0 h VAL 96 Ca 0.28 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1bz0 h VAL 96 Cb 1.31 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1bz0 h VAL 96 CO -0.00 0.10 -0.14 0.78 0.02 0.00 0.00 177.57 178.33 1bz0 h ASN 97 N 0.55 0.00 -0.38 0.57 4.21 -1.74 -2.60 115.58 116.20 1bz0 h ASN 97 Ca 0.32 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.77 1bz0 h ASN 97 Cb 0.50 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 1bz0 h ASN 97 CO -0.10 0.14 0.06 -0.26 -1.29 0.00 0.00 177.43 175.97 1bz0 h PHE 98 N 0.00 0.74 -0.32 1.19 -1.00 -1.58 -2.03 116.94 113.94 1bz0 h PHE 98 Ca -0.00 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.64 1bz0 h PHE 98 Cb 0.33 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1bz0 h PHE 98 CO 0.00 0.66 -0.07 1.57 -1.61 0.00 0.00 178.31 178.86 1bz0 h LYS 99 N 0.68 0.52 -0.09 1.51 5.09 -1.61 -0.32 116.57 122.35 1bz0 h LYS 99 Ca 0.15 -0.13 -0.14 0.00 0.09 0.00 0.00 60.65 60.62 1bz0 h LYS 99 Cb 0.34 -0.06 0.01 0.00 0.10 0.00 0.00 32.23 32.61 1bz0 h LYS 99 CO 0.01 0.60 -0.47 -0.07 -2.09 0.00 0.00 179.45 177.43 1bz0 h LEU 100 N 0.49 0.58 -0.53 7.07 3.38 -1.43 -1.92 115.31 122.95 1bz0 h LEU 100 Ca 0.10 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1bz0 h LEU 100 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1bz0 h LEU 100 CO 0.02 1.13 0.18 0.25 0.09 0.00 0.00 178.44 180.11 1bz0 h LEU 101 N 0.06 0.76 -0.68 1.67 6.46 -1.30 -1.78 115.31 120.49 1bz0 h LEU 101 Ca -0.03 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.60 1bz0 h LEU 101 Cb 1.12 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.80 1bz0 h LEU 101 CO 0.10 0.75 0.37 0.28 -0.62 0.00 0.00 178.44 179.32 1bz0 h SER 102 N 0.72 0.54 -0.25 1.25 0.02 -0.99 0.14 113.55 114.99 1bz0 h SER 102 Ca 0.17 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1bz0 h SER 102 Cb 0.25 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1bz0 h SER 102 CO -0.01 0.34 0.16 -0.74 -1.14 0.00 0.00 176.83 175.44 1bz0 h HIS 103 N 0.68 0.32 -0.03 3.45 -0.00 -1.15 -0.81 115.15 117.61 1bz0 h HIS 103 Ca 0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.61 1bz0 h HIS 103 Cb 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1bz0 h HIS 103 CO -0.08 0.22 -0.34 0.00 -0.00 0.00 0.00 177.93 177.74 1bz0 h LEU 105 N 0.05 0.82 -0.71 0.00 5.85 -0.39 -1.97 115.31 118.96 1bz0 h LEU 105 Ca 0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1bz0 h LEU 105 Cb 0.62 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1bz0 h LEU 105 CO 0.05 1.03 0.45 0.25 -0.34 0.00 0.00 178.44 179.87 1bz0 h LEU 106 N 0.60 0.83 -0.70 2.25 5.85 -0.67 -0.61 115.31 122.86 1bz0 h LEU 106 Ca 0.09 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1bz0 h LEU 106 Cb 0.71 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1bz0 h LEU 106 CO 0.05 0.63 0.27 0.58 -0.34 0.00 0.00 178.44 179.63 1bz0 h VAL 107 N 0.96 1.25 -0.10 1.05 2.07 -1.13 0.21 116.25 120.56 1bz0 h VAL 107 Ca 0.26 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1bz0 h VAL 107 Cb -0.07 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1bz0 h VAL 107 CO -0.05 0.32 0.05 0.74 0.02 0.00 0.00 177.57 178.64 1bz0 h THR 108 N 1.00 1.11 -0.42 2.57 2.02 -0.91 -1.39 112.91 116.88 1bz0 h THR 108 Ca 0.23 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1bz0 h THR 108 Cb 0.23 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1bz0 h THR 108 CO -0.02 0.09 0.25 -0.07 0.37 0.00 0.00 175.52 176.15 1bz0 h LEU 109 N 0.05 0.42 -0.63 2.58 4.07 -0.95 -2.07 115.31 118.77 1bz0 h LEU 109 Ca 0.03 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.09 1bz0 h LEU 109 Cb 0.11 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.69 1bz0 h LEU 109 CO -0.00 0.30 0.26 0.00 -1.08 0.00 0.00 178.44 177.92 1bz0 h ALA 110 N 1.18 0.83 0.00 1.53 0.00 -0.69 0.14 119.26 122.26 1bz0 h ALA 110 Ca 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1bz0 h ALA 110 Cb -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bz0 h ALA 110 CO -0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 179.25 178.86 1bz0 h ALA 111 N 1.42 1.19 0.00 0.00 0.00 -0.82 -3.25 119.26 117.80 1bz0 h ALA 111 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bz0 h ALA 111 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bz0 h ALA 111 CO -0.29 0.21 -0.88 0.72 0.00 0.00 0.00 179.25 179.01 1bz0 n HIS 112 N -3.57 0.00 -3.32 0.00 -0.00 -0.80 -4.77 115.22 102.77 1bz0 n HIS 112 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.44 1bz0 n HIS 112 Cb 0.31 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.14 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 -1.49 3.98 -0.15 2.41 4.77 0.43 -4.92 117.00 122.02 1bz0 n LEU 113 Ca 0.00 -5.49 -0.04 0.00 -0.03 0.00 0.00 56.01 50.45 1bz0 n LEU 113 Cb 0.21 -0.66 0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1bz0 n LEU 113 CO 0.22 2.11 0.99 1.55 -1.33 0.00 0.00 177.39 180.93 1bz0 h PRO 114 N 3.96 0.39 -0.18 3.23 0.13 -1.84 -2.15 132.00 135.54 1bz0 h PRO 114 Ca 0.19 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1bz0 h PRO 114 Cb 0.63 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1bz0 h PRO 114 CO 0.85 0.26 -0.55 0.00 -0.23 0.00 0.00 178.00 178.32 1bz0 h ALA 115 N 1.28 0.70 0.00 -0.56 0.00 -1.95 -3.34 119.26 115.40 1bz0 h ALA 115 Ca 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bz0 h ALA 115 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bz0 h ALA 115 CO -0.19 0.69 -0.84 0.93 0.00 0.00 0.00 179.25 179.84 1bz0 h GLU 116 N 0.42 0.00 -2.95 0.00 3.07 -1.92 -3.41 114.58 109.79 1bz0 h GLU 116 Ca 0.01 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.19 1bz0 h GLU 116 Cb 1.10 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1bz0 h GLU 116 CO 0.10 0.00 3.67 0.34 -1.40 0.00 0.00 179.01 181.72 1bz0 n PHE 117 N -2.46 2.43 -1.84 4.33 7.35 -0.83 -4.76 117.46 121.69 1bz0 n PHE 117 Ca 0.01 -3.06 -0.29 0.00 -0.76 0.00 0.00 57.45 53.36 1bz0 n PHE 117 Cb 0.50 -2.41 0.10 0.00 0.35 0.00 0.00 39.48 38.02 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 1.76 2.00 0.19 -2.13 -4.23 -1.26 -4.77 115.64 107.20 1bz0 s THR 118 Ca 0.68 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.07 1bz0 s THR 118 Cb 0.18 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 71.18 1bz0 s THR 118 CO -0.06 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.09 1bz0 h PRO 119 N -1.15 0.28 -0.68 3.99 0.11 -1.99 0.59 132.00 133.14 1bz0 h PRO 119 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1bz0 h PRO 119 Cb 1.33 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1bz0 h PRO 119 CO 0.65 0.18 0.17 0.00 -0.21 0.00 0.00 178.00 178.79 1bz0 h ALA 120 N 1.39 0.90 -0.35 -0.75 0.00 -1.96 -0.80 119.26 117.69 1bz0 h ALA 120 Ca 0.26 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1bz0 h ALA 120 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bz0 h ALA 120 CO -0.31 0.61 -0.14 0.28 0.00 0.00 0.00 179.25 179.69 1bz0 h VAL 121 N 1.02 1.28 -0.29 0.00 2.07 -1.75 -1.39 116.25 117.20 1bz0 h VAL 121 Ca 0.22 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1bz0 h VAL 121 Cb 0.36 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1bz0 h VAL 121 CO 0.00 0.41 -0.05 -0.74 0.02 0.00 0.00 177.57 177.20 1bz0 h HIS 122 N 0.49 -0.12 -0.38 1.57 6.17 -0.68 0.23 115.15 122.43 1bz0 h HIS 122 Ca 0.08 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.22 1bz0 h HIS 122 Cb 0.67 0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.66 1bz0 h HIS 122 CO 0.06 -0.11 0.16 0.00 0.71 0.00 0.00 177.93 178.75 1bz0 h ALA 123 N 1.28 0.46 -0.58 5.26 0.00 -0.94 -0.74 119.26 124.00 1bz0 h ALA 123 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1bz0 h ALA 123 Cb 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1bz0 h ALA 123 CO -0.28 -0.22 0.30 0.77 0.00 0.00 0.00 179.25 179.82 1bz0 h SER 124 N 0.34 0.74 -0.57 0.00 0.02 -0.56 -1.64 113.55 111.88 1bz0 h SER 124 Ca 0.17 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1bz0 h SER 124 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1bz0 h SER 124 CO -0.14 0.64 0.02 -0.07 -1.14 0.00 0.00 176.83 176.14 1bz0 h LEU 125 N 0.78 0.98 -0.35 5.07 3.38 -0.36 0.43 115.31 125.25 1bz0 h LEU 125 Ca 0.20 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1bz0 h LEU 125 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1bz0 h LEU 125 CO -0.03 1.02 0.22 -0.78 0.09 0.00 0.00 178.44 178.97 1bz0 h ASP 126 N 0.94 0.37 -0.54 -0.43 3.58 -0.85 0.38 116.42 119.87 1bz0 h ASP 126 Ca 0.17 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 1bz0 h ASP 126 Cb 0.51 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1bz0 h ASP 126 CO 0.02 0.27 0.19 0.11 -2.88 0.00 0.00 179.24 176.95 1bz0 h LYS 127 N 0.45 0.83 -0.24 0.28 1.57 -1.11 -1.29 116.57 117.06 1bz0 h LYS 127 Ca 0.13 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1bz0 h LYS 127 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1bz0 h LYS 127 CO -0.04 0.74 0.15 0.35 -0.57 0.00 0.00 179.45 180.08 1bz0 h PHE 128 N 0.74 0.29 -0.49 -1.35 3.57 -0.44 -1.35 116.94 117.91 1bz0 h PHE 128 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1bz0 h PHE 128 Cb 0.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1bz0 h PHE 128 CO 0.01 0.18 0.21 -0.07 -2.23 0.00 0.00 178.31 176.42 1bz0 h LEU 129 N 0.31 0.62 -0.76 0.59 3.38 -0.73 -0.49 115.31 118.24 1bz0 h LEU 129 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1bz0 h LEU 129 Cb -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1bz0 h LEU 129 CO -0.03 0.55 0.09 0.00 0.09 0.00 0.00 178.44 179.14 1bz0 h ALA 130 N 1.55 0.97 -0.23 1.53 0.00 -0.85 -1.15 119.26 121.08 1bz0 h ALA 130 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1bz0 h ALA 130 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bz0 h ALA 130 CO -0.02 0.64 -0.03 0.77 0.00 0.00 0.00 179.25 180.61 1bz0 h SER 131 N 0.97 0.44 -0.23 0.00 0.02 -0.39 0.04 113.55 114.40 1bz0 h SER 131 Ca 0.19 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1bz0 h SER 131 Cb 0.44 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1bz0 h SER 131 CO 0.01 0.68 0.11 0.58 -1.14 0.00 0.00 176.83 177.08 1bz0 h VAL 132 N 0.19 0.99 -0.70 2.27 2.07 -1.01 -0.29 116.25 119.78 1bz0 h VAL 132 Ca 0.06 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1bz0 h VAL 132 Cb 0.48 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1bz0 h VAL 132 CO 0.02 0.04 0.40 0.28 0.02 0.00 0.00 177.57 178.33 1bz0 h SER 133 N 0.25 0.60 -0.54 0.57 0.02 -0.96 0.71 113.55 114.19 1bz0 h SER 133 Ca 0.09 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1bz0 h SER 133 Cb 0.02 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1bz0 h SER 133 CO -0.07 0.39 0.26 0.74 -1.14 0.00 0.00 176.83 177.01 1bz0 h THR 134 N 0.74 1.20 -0.41 -2.27 2.02 -0.56 -1.85 112.91 111.77 1bz0 h THR 134 Ca 0.31 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1bz0 h THR 134 Cb 0.17 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1bz0 h THR 134 CO -0.18 0.23 0.09 0.58 0.37 0.00 0.00 175.52 176.61 1bz0 h VAL 135 N 0.73 1.23 0.00 3.16 2.07 -0.35 -2.00 116.25 121.10 1bz0 h VAL 135 Ca 0.19 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1bz0 h VAL 135 Cb 0.12 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1bz0 h VAL 135 CO -0.02 0.29 -0.07 -0.07 0.02 0.00 0.00 177.57 177.71 1bz0 h LEU 136 N 0.52 0.00 -2.24 2.57 3.38 -0.60 -2.56 115.31 116.39 1bz0 h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1bz0 h LEU 136 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1bz0 h LEU 136 CO 0.00 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1bz0 n THR 137 N -3.57 0.50 0.28 0.22 -2.24 -0.72 -4.49 114.28 104.27 1bz0 n THR 137 Ca -0.02 -0.75 0.17 0.00 -2.27 0.00 0.00 64.05 61.18 1bz0 n THR 137 Cb 0.19 0.93 0.74 0.00 -2.10 0.00 0.00 70.33 70.09 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 3.21 0.00 -0.53 3.42 4.64 -0.93 -2.92 113.55 120.43 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 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1bz0 h SER 138 CO 0.00 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1bz0 n LYS 139 N -3.13 3.23 -0.31 4.77 5.02 -1.26 -4.62 118.16 121.86 1bz0 n LYS 139 Ca 0.00 -2.63 0.04 0.00 -2.02 0.00 0.00 58.31 53.71 1bz0 n LYS 139 Cb 0.28 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 33.87 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 3.28 1.05 0.00 2.13 -1.99 -1.83 -3.46 116.97 116.15 1bz0 h TYR 140 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1bz0 h TYR 140 Cb 1.18 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.57 1bz0 h TYR 140 CO 0.54 0.54 0.00 2.89 -0.00 0.00 0.00 178.16 182.13