#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dr9 h PHE 2 N 0.00 0.65 -0.54 1.61 3.57 -1.99 -0.71 116.94 119.53 3dr9 h PHE 2 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3dr9 h PHE 2 Cb 0.00 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3dr9 h PHE 2 CO 0.00 0.33 0.28 0.87 -2.23 0.00 0.00 178.31 177.57 3dr9 h LYS 3 N 0.67 0.77 -0.89 1.11 1.79 -2.00 -1.88 116.57 116.14 3dr9 h LYS 3 Ca 0.27 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 3dr9 h LYS 3 Cb 0.12 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 3dr9 h LYS 3 CO -0.15 0.61 0.59 0.37 -1.08 0.00 0.00 179.45 179.79 3dr9 h GLN 4 N 0.73 1.16 -0.80 3.15 5.75 -1.89 -2.63 115.11 120.58 3dr9 h GLN 4 Ca 0.19 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3dr9 h GLN 4 Cb 0.08 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 3dr9 h GLN 4 CO -0.03 0.77 0.52 -0.44 -2.65 0.00 0.00 178.83 177.00 3dr9 h ASP 5 N 1.20 0.92 -0.75 -0.69 3.45 -0.48 0.17 116.42 120.23 3dr9 h ASP 5 Ca 0.33 -0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.77 3dr9 h ASP 5 Cb -0.12 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.38 3dr9 h ASP 5 CO -0.08 0.68 0.50 0.40 -1.57 0.00 0.00 179.24 179.17 3dr9 h ILE 6 N 1.08 1.19 -0.50 0.35 2.04 -1.02 -0.07 117.51 120.58 3dr9 h ILE 6 Ca 0.29 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3dr9 h ILE 6 Cb -0.11 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 3dr9 h ILE 6 CO -0.06 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.37 3dr9 h ALA 7 N 1.28 0.66 0.03 1.87 0.00 -0.80 0.24 119.26 122.55 3dr9 h ALA 7 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dr9 h ALA 7 Cb -0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3dr9 h ALA 7 CO -0.06 0.38 -0.02 1.15 0.00 0.00 0.00 179.25 180.70 3dr9 h THR 8 N 0.70 0.95 -0.20 0.00 2.02 -0.34 0.06 112.91 116.10 3dr9 h THR 8 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3dr9 h THR 8 Cb 0.37 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3dr9 h THR 8 CO 0.01 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.40 3dr9 h ILE 9 N -0.06 1.13 -0.54 3.11 2.04 -0.94 -2.85 117.51 119.40 3dr9 h ILE 9 Ca -0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3dr9 h ILE 9 Cb 0.05 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3dr9 h ILE 9 CO 0.00 0.12 0.35 0.03 0.00 0.00 0.00 178.15 178.65 3dr9 h ARG 10 N 0.20 0.71 -0.89 2.37 3.08 -0.83 -1.49 114.38 117.53 3dr9 h ARG 10 Ca 0.07 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.17 3dr9 h ARG 10 Cb 0.10 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 3dr9 h ARG 10 CO -0.01 0.48 0.58 0.78 -1.07 0.00 0.00 179.97 180.72 3dr9 h GLY 11 N 0.74 1.29 -5.77 0.04 0.00 -0.73 -3.03 103.07 95.61 3dr9 h GLY 11 Ca 0.20 -0.37 -0.52 0.00 0.00 0.00 0.00 47.33 46.64 3dr9 h GLY 11 CO -0.04 0.20 -1.01 1.34 0.00 0.00 0.00 176.54 177.03 3dr9 n ASP 12 N -4.53 2.03 -0.33 0.19 -0.08 -0.96 -4.97 116.55 107.90 3dr9 n ASP 12 Ca 0.15 -3.23 -0.03 0.00 -1.51 0.00 0.00 54.79 50.17 3dr9 n ASP 12 Cb 0.31 -0.60 0.11 0.00 2.34 0.00 0.00 41.12 43.28 3dr9 n ASP 12 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3dr9 h LEU 13 N 3.02 1.11 -0.34 -2.67 5.85 -1.16 -1.67 115.31 119.45 3dr9 h LEU 13 Ca 0.11 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3dr9 h LEU 13 Cb 0.81 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3dr9 h LEU 13 CO 0.61 0.87 0.18 -0.09 -0.34 0.00 0.00 178.44 179.66 3dr9 h ARG 14 N 1.26 0.48 0.06 1.25 2.43 -1.90 0.19 114.38 118.14 3dr9 h ARG 14 Ca 0.32 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3dr9 h ARG 14 Cb -0.02 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3dr9 h ARG 14 CO -0.06 0.41 -0.03 1.15 -1.51 0.00 0.00 179.97 179.94 3dr9 h THR 15 N 0.43 1.11 -0.77 0.20 2.02 -1.86 -1.58 112.91 112.45 3dr9 h THR 15 Ca 0.12 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3dr9 h THR 15 Cb 0.08 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3dr9 h THR 15 CO -0.02 0.14 0.27 1.88 0.37 0.00 0.00 175.52 178.17 3dr9 h TYR 16 N -0.33 1.20 -0.16 3.16 0.05 -1.23 -0.02 116.97 119.64 3dr9 h TYR 16 Ca -0.01 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 3dr9 h TYR 16 Cb 0.29 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3dr9 h TYR 16 CO 0.01 0.93 0.10 0.00 -1.05 0.00 0.00 178.16 178.14 3dr9 h ALA 17 N 1.16 0.20 -0.45 3.88 0.00 -0.58 0.08 119.26 123.56 3dr9 h ALA 17 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3dr9 h ALA 17 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dr9 h ALA 17 CO -0.01 -0.29 0.01 1.96 0.00 0.00 0.00 179.25 180.92 3dr9 h GLN 18 N 0.18 0.78 -0.31 0.00 4.20 -1.10 -1.01 115.11 117.84 3dr9 h GLN 18 Ca 0.06 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 3dr9 h GLN 18 Cb 0.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3dr9 h GLN 18 CO -0.01 0.83 0.09 -0.44 -0.67 0.00 0.00 178.83 178.64 3dr9 h ASP 19 N 0.62 0.46 -0.31 1.46 3.32 -0.82 -0.41 116.42 120.75 3dr9 h ASP 19 Ca 0.13 -0.21 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 3dr9 h ASP 19 Cb 0.47 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3dr9 h ASP 19 CO 0.02 0.55 -0.50 0.40 -1.72 0.00 0.00 179.24 177.99 3dr9 h ILE 20 N 0.35 1.27 -0.61 0.35 2.04 -0.97 -1.10 117.51 118.84 3dr9 h ILE 20 Ca 0.10 -1.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 3dr9 h ILE 20 Cb 0.25 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3dr9 h ILE 20 CO -0.00 0.55 0.32 0.15 0.00 0.00 0.00 178.15 179.17 3dr9 h PHE 21 N 0.68 0.86 -0.48 1.37 3.57 -1.08 -0.46 116.94 121.40 3dr9 h PHE 21 Ca 0.02 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3dr9 h PHE 21 Cb 1.11 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3dr9 h PHE 21 CO 0.07 0.64 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.71 3dr9 h LEU 22 N 0.84 0.78 -0.87 0.59 3.38 -1.02 -0.96 115.31 118.05 3dr9 h LEU 22 Ca 0.21 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dr9 h LEU 22 Cb 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3dr9 h LEU 22 CO -0.03 0.86 0.57 0.00 0.09 0.00 0.00 178.44 179.93 3dr9 h ALA 23 N 1.23 1.11 0.33 1.53 0.00 -0.69 0.16 119.26 122.93 3dr9 h ALA 23 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dr9 h ALA 23 Cb 0.48 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dr9 h ALA 23 CO 0.02 0.49 -0.18 0.35 0.00 0.00 0.00 179.25 179.93 3dr9 h PHE 24 N 1.16 -0.48 -0.35 0.00 3.57 -0.70 -1.01 116.94 119.13 3dr9 h PHE 24 Ca 0.32 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 3dr9 h PHE 24 Cb -0.12 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3dr9 h PHE 24 CO -0.01 -0.29 0.10 -0.07 -2.23 0.00 0.00 178.31 175.81 3dr9 h LEU 25 N -0.48 0.45 -0.45 0.59 3.38 -0.90 -0.47 115.31 117.42 3dr9 h LEU 25 Ca -0.04 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3dr9 h LEU 25 Cb 0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3dr9 h LEU 25 CO 0.05 0.44 -0.60 0.78 0.09 0.00 0.00 178.44 179.20 3dr9 h ASN 26 N 0.49 0.64 0.26 -0.43 2.35 -0.48 -1.79 115.58 116.62 3dr9 h ASN 26 Ca 0.12 -0.36 -0.19 0.00 -0.55 0.00 0.00 56.30 55.32 3dr9 h ASN 26 Cb 0.16 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3dr9 h ASN 26 CO -0.01 1.09 -0.76 0.50 -1.65 0.00 0.00 177.43 176.60 3dr9 h LYS 27 N 0.42 0.42 -2.14 0.81 3.64 -0.92 -3.37 116.57 115.43 3dr9 h LYS 27 Ca -0.00 -0.36 -0.59 0.00 -1.27 0.00 0.00 60.65 58.43 3dr9 h LYS 27 Cb 1.16 0.08 -0.41 0.00 -0.41 0.00 0.00 32.23 32.65 3dr9 h LYS 27 CO 0.11 1.00 -0.74 0.66 -2.27 0.00 0.00 179.45 178.21 3dr9 n TYR 28 N -3.83 2.54 0.20 1.91 4.01 -0.21 -4.97 117.16 116.82 3dr9 n TYR 28 Ca -0.05 -3.98 0.16 0.00 -0.16 0.00 0.00 57.90 53.86 3dr9 n TYR 28 Cb 0.73 -0.50 0.79 0.00 -0.31 0.00 0.00 39.34 40.05 3dr9 n TYR 28 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3dr9 h PRO 29 N 4.03 0.00 0.00 -0.72 0.13 -1.50 -0.03 132.00 133.91 3dr9 h PRO 29 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3dr9 h PRO 29 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3dr9 h PRO 29 CO 0.73 0.00 -0.02 0.38 -0.23 0.00 0.00 178.00 178.87 3dr9 h ASP 30 N 0.00 0.00 0.79 1.44 -0.00 -1.93 -2.05 116.42 114.66 3dr9 h ASP 30 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 3dr9 h ASP 30 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 3dr9 h ASP 30 CO -0.00 0.02 0.00 -0.33 -0.00 0.00 0.00 179.24 178.92 3dr9 h GLU 31 N 0.00 0.00 0.00 4.15 4.39 -1.32 -2.79 114.58 119.00 3dr9 h GLU 31 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dr9 h GLU 31 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3dr9 h GLU 31 CO 0.00 0.00 -0.01 -0.09 -1.16 0.00 0.00 179.01 177.75 3dr9 h ARG 32 N 0.00 0.00 -0.22 2.33 2.43 -1.54 -2.58 114.38 114.80 3dr9 h ARG 32 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3dr9 h ARG 32 Cb 0.39 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3dr9 h ARG 32 CO 0.00 0.01 0.22 0.07 -1.51 0.00 0.00 179.97 178.76 3dr9 h ARG 33 N 0.00 0.00 0.00 0.20 0.11 -1.71 0.12 114.38 113.09 3dr9 h ARG 33 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dr9 h ARG 33 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3dr9 h ARG 33 CO 0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 3dr9 n TYR 34 N -3.97 0.13 -3.74 4.08 4.01 -0.97 -4.08 117.16 112.63 3dr9 n TYR 34 Ca 0.03 0.04 -0.28 0.00 -0.16 0.00 0.00 57.90 57.53 3dr9 n TYR 34 Cb 0.35 -0.57 -0.11 0.00 -0.31 0.00 0.00 39.34 38.71 3dr9 n TYR 34 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3dr9 n PHE 35 N -1.61 2.82 0.30 -0.72 3.01 0.03 -4.97 117.46 116.32 3dr9 n PHE 35 Ca 0.06 -4.17 0.15 0.00 1.01 0.00 0.00 57.45 54.50 3dr9 n PHE 35 Cb 0.31 -0.52 0.91 0.00 -0.01 0.00 0.00 39.48 40.17 3dr9 n PHE 35 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3dr9 h LYS 36 N 5.14 0.00 -0.00 -1.08 2.10 -1.74 -1.09 116.57 119.90 3dr9 h LYS 36 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 3dr9 h LYS 36 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3dr9 h LYS 36 CO 0.70 0.01 -0.10 0.09 -2.00 0.00 0.00 179.45 178.15 3dr9 n ASN 37 N -3.79 0.35 -0.18 7.07 3.02 -1.26 -3.56 115.26 116.90 3dr9 n ASN 37 Ca -0.03 -0.40 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 3dr9 n ASN 37 Cb 0.10 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3dr9 n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dr9 n TYR 38 N -1.09 0.00 -2.03 3.10 4.01 -0.41 -4.92 117.16 115.82 3dr9 n TYR 38 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.46 3dr9 n TYR 38 Cb 0.28 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 3dr9 n TYR 38 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3dr9 s VAL 39 N -2.80 2.72 -0.89 -0.72 0.11 -1.23 -3.06 120.40 114.52 3dr9 s VAL 39 Ca 0.12 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 3dr9 s VAL 39 Cb 0.17 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 3dr9 s VAL 39 CO 0.75 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 173.21 3dr9 n GLY 40 N 2.36 0.85 3.29 6.54 0.00 -1.26 -5.01 105.19 111.96 3dr9 n GLY 40 Ca 0.07 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 3dr9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dr9 s LYS 41 N -3.07 2.92 0.89 1.61 -0.14 -1.17 -5.12 119.74 115.66 3dr9 s LYS 41 Ca 0.00 -0.83 -0.11 0.00 -1.36 0.00 0.00 55.97 53.67 3dr9 s LYS 41 Cb 0.00 -2.34 0.13 0.00 -1.68 0.00 0.00 37.83 33.94 3dr9 s LYS 41 CO 0.00 0.29 1.10 -1.54 -0.76 0.00 0.00 175.35 174.44 3dr9 s SER 42 N 0.09 3.34 0.22 2.83 1.04 -1.26 -4.79 113.70 115.17 3dr9 s SER 42 Ca -0.10 1.81 -0.07 0.00 0.48 0.00 0.00 55.95 58.07 3dr9 s SER 42 Cb -0.16 -2.41 0.32 0.00 0.10 0.00 0.00 66.02 63.87 3dr9 s SER 42 CO 0.06 -2.77 1.78 0.44 0.98 0.00 0.00 173.24 173.73 3dr9 h ASP 43 N -1.64 0.46 -0.44 7.02 3.32 -1.99 -0.75 116.42 122.40 3dr9 h ASP 43 Ca -0.47 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.53 3dr9 h ASP 43 Cb 1.27 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3dr9 h ASP 43 CO 0.49 0.27 -0.12 1.56 -1.72 0.00 0.00 179.24 179.72 3dr9 h GLN 44 N 0.60 0.91 -0.31 3.56 1.08 -1.99 -1.42 115.11 117.53 3dr9 h GLN 44 Ca 0.34 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3dr9 h GLN 44 Cb 0.34 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3dr9 h GLN 44 CO -0.26 0.97 0.21 0.93 -0.95 0.00 0.00 178.83 179.73 3dr9 h GLU 45 N 0.81 0.41 -0.44 1.46 5.08 -1.82 -2.64 114.58 117.44 3dr9 h GLU 45 Ca 0.13 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3dr9 h GLU 45 Cb 0.65 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 3dr9 h GLU 45 CO 0.05 0.27 0.13 -0.07 -1.00 0.00 0.00 179.01 178.38 3dr9 h LEU 46 N 0.42 0.09 -2.03 1.33 3.38 -0.85 -1.54 115.31 116.12 3dr9 h LEU 46 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dr9 h LEU 46 Cb -0.05 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dr9 h LEU 46 CO -0.02 0.08 0.00 0.11 0.09 0.00 0.00 178.44 178.70 3dr9 h LYS 47 N 0.28 0.00 -0.01 1.13 1.57 -1.05 -0.55 116.57 117.94 3dr9 h LYS 47 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3dr9 h LYS 47 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3dr9 h LYS 47 CO -0.24 0.00 -0.19 -1.13 -0.57 0.00 0.00 179.45 177.32 3dr9 n SER 48 N -2.85 1.17 -4.59 0.86 3.41 -0.59 -4.79 113.62 106.24 3dr9 n SER 48 Ca -0.01 -1.06 -0.40 0.00 -0.26 0.00 0.00 58.87 57.14 3dr9 n SER 48 Cb 0.15 0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 3dr9 n SER 48 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3dr9 s MET 49 N -2.37 3.90 0.23 4.33 -1.94 -0.21 -4.98 119.30 118.26 3dr9 s MET 49 Ca 0.28 -0.02 -0.09 0.00 -1.71 0.00 0.00 55.69 54.15 3dr9 s MET 49 Cb 0.20 -3.70 0.36 0.00 2.01 0.00 0.00 34.83 33.70 3dr9 s MET 49 CO 0.47 -0.37 1.65 0.00 -0.01 0.00 0.00 175.02 176.76 3dr9 h ALA 50 N 8.24 0.69 0.00 3.03 0.00 -1.87 -1.30 119.26 128.06 3dr9 h ALA 50 Ca -0.31 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3dr9 h ALA 50 Cb 1.15 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3dr9 h ALA 50 CO 0.68 -0.40 -0.32 0.87 0.00 0.00 0.00 179.25 180.08 3dr9 h LYS 51 N 0.12 0.00 0.55 0.00 1.57 -1.94 -2.02 116.57 114.86 3dr9 h LYS 51 Ca 0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3dr9 h LYS 51 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3dr9 h LYS 51 CO -0.58 0.32 -0.30 0.35 -0.57 0.00 0.00 179.45 178.67 3dr9 h PHE 52 N 0.00 -0.78 -0.58 -1.35 3.57 -1.48 0.35 116.94 116.67 3dr9 h PHE 52 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3dr9 h PHE 52 Cb 0.98 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3dr9 h PHE 52 CO 0.00 -0.47 -0.01 0.78 -2.23 0.00 0.00 178.31 176.38 3dr9 h GLY 53 N -0.79 1.12 0.57 2.40 0.00 -1.51 -1.82 103.07 103.04 3dr9 h GLY 53 Ca -0.07 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.41 3dr9 h GLY 53 CO 0.10 0.77 -0.05 1.29 0.00 0.00 0.00 176.54 178.64 3dr9 h ASP 54 N 0.92 0.12 0.25 0.19 3.04 -1.32 -1.37 116.42 118.25 3dr9 h ASP 54 Ca 0.16 -0.50 -0.21 0.00 -3.24 0.00 0.00 57.03 53.25 3dr9 h ASP 54 Cb 0.57 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.82 3dr9 h ASP 54 CO 0.03 0.60 -0.82 0.45 -2.04 0.00 0.00 179.24 177.46 3dr9 h HIS 55 N -0.35 0.63 -0.60 4.15 3.86 -0.99 -1.68 115.15 120.16 3dr9 h HIS 55 Ca 0.01 -0.30 -0.07 0.00 -1.16 0.00 0.00 60.37 58.84 3dr9 h HIS 55 Cb 0.57 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 3dr9 h HIS 55 CO 0.10 1.09 0.09 0.00 0.86 0.00 0.00 177.93 180.07 3dr9 h THR 56 N 0.28 1.26 -0.66 2.45 1.03 -1.36 -0.81 112.91 115.11 3dr9 h THR 56 Ca -0.05 -1.00 0.02 0.00 -0.01 0.00 0.00 66.41 65.36 3dr9 h THR 56 Cb 1.43 0.75 -0.04 0.00 -1.07 0.00 0.00 68.15 69.22 3dr9 h THR 56 CO 0.14 0.37 0.42 -0.08 -0.01 0.00 0.00 175.52 176.36 3dr9 h GLU 57 N 0.89 0.81 -1.01 0.00 4.81 -1.17 -2.26 114.58 116.66 3dr9 h GLU 57 Ca 0.18 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3dr9 h GLU 57 Cb 0.43 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3dr9 h GLU 57 CO 0.01 0.53 0.66 0.87 -0.73 0.00 0.00 179.01 180.36 3dr9 h LYS 58 N 0.83 1.27 -0.07 1.92 1.57 -0.80 0.40 116.57 121.70 3dr9 h LYS 58 Ca 0.26 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3dr9 h LYS 58 Cb -0.02 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 31.96 3dr9 h LYS 58 CO -0.09 0.84 -0.16 0.28 -0.57 0.00 0.00 179.45 179.75 3dr9 h VAL 59 N 1.31 0.59 0.00 0.50 2.07 -0.78 -1.92 116.25 118.01 3dr9 h VAL 59 Ca 0.39 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.79 3dr9 h VAL 59 Cb -0.06 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3dr9 h VAL 59 CO -0.11 0.00 -0.58 -0.26 0.02 0.00 0.00 177.57 176.64 3dr9 h PHE 60 N -0.23 0.00 -0.02 1.57 0.04 -0.81 -1.11 116.94 116.38 3dr9 h PHE 60 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3dr9 h PHE 60 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 3dr9 h PHE 60 CO -0.25 0.58 -0.00 -0.97 -0.60 0.00 0.00 178.31 177.07 3dr9 h ASN 61 N 0.00 -0.01 -0.89 2.17 -1.24 -0.09 0.30 115.58 115.82 3dr9 h ASN 61 Ca -0.01 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.02 3dr9 h ASN 61 Cb 1.19 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.21 3dr9 h ASN 61 CO 0.08 -0.00 0.59 0.25 -1.29 0.00 0.00 177.43 177.05 3dr9 h LEU 62 N 0.00 1.02 -0.52 0.34 5.85 -1.09 -0.84 115.31 120.07 3dr9 h LEU 62 Ca 0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3dr9 h LEU 62 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3dr9 h LEU 62 CO -0.02 0.74 0.28 -0.03 -0.34 0.00 0.00 178.44 179.07 3dr9 h MET 63 N 1.20 0.53 -0.34 1.25 4.05 -0.83 -0.36 114.93 120.43 3dr9 h MET 63 Ca 0.32 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.65 3dr9 h MET 63 Cb -0.14 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.52 3dr9 h MET 63 CO -0.07 0.35 -0.05 0.52 0.23 0.00 0.00 176.91 177.89 3dr9 h MET 64 N 0.55 0.54 -0.30 0.39 2.86 -0.52 0.36 114.93 118.81 3dr9 h MET 64 Ca 0.23 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3dr9 h MET 64 Cb 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3dr9 h MET 64 CO -0.14 0.61 0.11 0.93 1.06 0.00 0.00 176.91 179.48 3dr9 h GLU 65 N 0.51 0.46 -0.54 1.72 5.08 -0.44 0.75 114.58 122.13 3dr9 h GLU 65 Ca 0.10 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3dr9 h GLU 65 Cb 0.41 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3dr9 h GLU 65 CO 0.02 0.48 0.13 0.28 -1.00 0.00 0.00 179.01 178.92 3dr9 h VAL 66 N 0.34 1.25 -0.61 3.13 2.07 -0.83 -1.65 116.25 119.95 3dr9 h VAL 66 Ca 0.10 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3dr9 h VAL 66 Cb 0.20 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3dr9 h VAL 66 CO -0.01 0.32 0.31 0.00 0.02 0.00 0.00 177.57 178.22 3dr9 h ALA 67 N 1.01 0.78 -0.01 1.67 0.00 -0.76 -2.22 119.26 119.73 3dr9 h ALA 67 Ca 0.17 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3dr9 h ALA 67 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dr9 h ALA 67 CO 0.00 0.32 -0.47 0.22 0.00 0.00 0.00 179.25 179.33 3dr9 h ASP 68 N 0.83 0.01 1.32 0.00 1.82 -0.59 -2.75 116.42 117.05 3dr9 h ASP 68 Ca 0.21 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3dr9 h ASP 68 Cb 0.09 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 3dr9 h ASP 68 CO -0.03 0.48 -0.11 0.54 -1.61 0.00 0.00 179.24 178.51 3dr9 n ARG 69 N -3.98 0.24 -1.40 0.28 1.74 -0.64 -4.88 116.66 108.02 3dr9 n ARG 69 Ca -0.02 0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.91 3dr9 n ARG 69 Cb 0.49 -1.75 0.09 0.00 -1.02 0.00 0.00 32.46 30.27 3dr9 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dr9 s ALA 70 N -3.10 2.19 -0.15 7.54 0.00 -0.86 -4.66 121.76 122.73 3dr9 s ALA 70 Ca 0.10 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3dr9 s ALA 70 Cb 0.13 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 3dr9 s ALA 70 CO 0.61 -1.75 -0.15 0.99 0.00 0.00 0.00 175.76 175.46 3dr9 s THR 71 N -2.46 2.71 -1.56 0.00 2.01 -0.82 -4.69 115.64 110.82 3dr9 s THR 71 Ca 0.67 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 3dr9 s THR 71 Cb -0.22 -2.13 0.06 0.00 0.01 0.00 0.00 72.50 70.22 3dr9 s THR 71 CO 0.49 0.52 0.43 0.47 -0.69 0.00 0.00 174.62 175.83 3dr9 n ASP 72 N 3.91 -0.92 -0.65 3.53 10.43 -1.26 -0.65 116.55 130.95 3dr9 n ASP 72 Ca -0.19 -1.09 -0.09 0.00 2.57 0.00 0.00 54.79 55.99 3dr9 n ASP 72 Cb 0.52 -2.50 -0.04 0.00 1.84 0.00 0.00 41.12 40.95 3dr9 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3dr9 s VAL 74 N -2.02 5.21 0.61 0.00 1.01 0.18 -4.21 120.40 121.18 3dr9 s VAL 74 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 3dr9 s VAL 74 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3dr9 s VAL 74 CO 0.00 -0.15 1.04 -2.16 0.00 0.00 0.00 175.10 173.84 3dr9 s PRO 75 N 1.69 3.38 0.33 2.72 0.04 -1.26 -1.94 135.00 139.96 3dr9 s PRO 75 Ca 0.05 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 3dr9 s PRO 75 Cb -0.18 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3dr9 s PRO 75 CO 0.10 -0.75 1.39 -0.51 0.04 0.00 0.00 177.00 177.27 3dr9 s LEU 76 N -4.74 4.38 0.41 -3.56 1.43 -1.26 -4.92 118.68 110.42 3dr9 s LEU 76 Ca 0.60 2.80 0.07 0.00 -1.03 0.00 0.00 54.13 56.58 3dr9 s LEU 76 Cb -0.14 -3.65 0.87 0.00 0.03 0.00 0.00 46.19 43.30 3dr9 s LEU 76 CO 0.42 -0.68 2.06 0.00 0.23 0.00 0.00 176.35 178.38 3dr9 h ALA 77 N 3.59 1.70 -0.53 4.21 0.00 -1.97 -1.95 119.26 124.32 3dr9 h ALA 77 Ca -0.49 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3dr9 h ALA 77 Cb 1.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3dr9 h ALA 77 CO 0.68 0.27 0.13 0.66 0.00 0.00 0.00 179.25 180.98 3dr9 h SER 78 N 0.53 0.76 -0.37 0.00 4.64 -1.99 0.22 113.55 117.33 3dr9 h SER 78 Ca 0.14 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3dr9 h SER 78 Cb -0.04 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 3dr9 h SER 78 CO -0.03 0.75 -0.18 0.44 -0.87 0.00 0.00 176.83 176.94 3dr9 h ASP 79 N 0.78 0.80 -0.66 4.97 3.45 -1.75 -1.18 116.42 122.82 3dr9 h ASP 79 Ca 0.17 -0.41 0.04 0.00 0.43 0.00 0.00 57.03 57.26 3dr9 h ASP 79 Cb 0.29 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 38.80 3dr9 h ASP 79 CO -0.00 1.03 0.39 0.00 -1.57 0.00 0.00 179.24 179.09 3dr9 h ALA 80 N 0.80 0.86 -0.29 3.45 0.00 -1.14 -2.23 119.26 120.70 3dr9 h ALA 80 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dr9 h ALA 80 Cb 0.73 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3dr9 h ALA 80 CO 0.05 0.13 0.10 -0.97 0.00 0.00 0.00 179.25 178.56 3dr9 h ASN 81 N 0.76 0.10 -0.43 0.00 -1.24 -0.72 -1.09 115.58 112.97 3dr9 h ASN 81 Ca 0.27 0.03 0.08 0.00 0.71 0.00 0.00 56.30 57.39 3dr9 h ASN 81 Cb 0.07 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.07 3dr9 h ASN 81 CO -0.13 0.09 0.00 0.74 -1.29 0.00 0.00 177.43 176.85 3dr9 h THR 82 N 0.23 0.68 -0.74 -3.57 2.02 -0.93 -1.07 112.91 109.53 3dr9 h THR 82 Ca 0.13 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3dr9 h THR 82 Cb 0.10 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3dr9 h THR 82 CO -0.14 0.02 0.31 -0.07 0.37 0.00 0.00 175.52 176.02 3dr9 h LEU 83 N 0.11 0.98 -0.52 2.58 3.38 -0.79 -2.29 115.31 118.77 3dr9 h LEU 83 Ca 0.21 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3dr9 h LEU 83 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3dr9 h LEU 83 CO -0.35 0.86 -0.32 0.58 0.09 0.00 0.00 178.44 179.30 3dr9 h VAL 84 N 1.06 1.28 0.00 1.22 2.07 -0.71 -3.26 116.25 117.90 3dr9 h VAL 84 Ca 0.25 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3dr9 h VAL 84 Cb 0.17 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3dr9 h VAL 84 CO -0.03 0.50 -0.05 0.00 0.02 0.00 0.00 177.57 178.01 3dr9 n GLN 85 N -4.07 0.24 -1.71 1.57 1.13 -0.45 -4.71 117.38 109.37 3dr9 n GLN 85 Ca -0.01 0.18 -0.42 0.00 -1.94 0.00 0.00 57.00 54.81 3dr9 n GLN 85 Cb 0.50 -1.76 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 3dr9 n GLN 85 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3dr9 n MET 86 N -2.17 2.78 0.22 -1.09 2.81 -0.88 -4.87 117.12 113.92 3dr9 n MET 86 Ca 0.06 1.00 0.10 0.00 -1.81 0.00 0.00 57.70 57.04 3dr9 n MET 86 Cb 0.42 -2.86 0.65 0.00 -0.71 0.00 0.00 33.22 30.72 3dr9 n MET 86 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3dr9 h LYS 87 N 7.00 0.00 0.00 0.03 2.10 -1.92 -0.32 116.57 123.46 3dr9 h LYS 87 Ca -0.44 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3dr9 h LYS 87 Cb 1.20 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3dr9 h LYS 87 CO 0.96 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 179.45 3dr9 n GLN 88 N -4.52 0.09 -0.30 0.07 6.02 -1.26 -2.47 117.38 115.01 3dr9 n GLN 88 Ca -0.01 0.28 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 3dr9 n GLN 88 Cb 0.16 -1.66 0.22 0.00 1.02 0.00 0.00 30.24 29.98 3dr9 n GLN 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dr9 n HIS 89 N -1.83 0.74 0.24 1.08 8.25 -0.13 -4.74 115.22 118.83 3dr9 n HIS 89 Ca 0.04 -0.59 0.07 0.00 -0.26 0.00 0.00 57.72 56.98 3dr9 n HIS 89 Cb 0.23 -0.11 0.58 0.00 1.12 0.00 0.00 29.99 31.82 3dr9 n HIS 89 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3dr9 h SER 90 N 2.49 0.00 0.02 0.41 4.64 -1.45 -2.36 113.55 117.29 3dr9 h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dr9 h SER 90 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3dr9 h SER 90 CO 0.07 0.08 -0.66 -1.20 -0.87 0.00 0.00 176.83 174.25 3dr9 n SER 91 N -4.43 1.56 -4.83 4.97 7.64 -1.26 -5.00 113.62 112.27 3dr9 n SER 91 Ca -0.03 -1.26 -0.31 0.00 1.01 0.00 0.00 58.87 58.28 3dr9 n SER 91 Cb 0.16 0.64 0.03 0.00 -1.01 0.00 0.00 64.21 64.03 3dr9 n SER 91 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dr9 s LEU 92 N -2.68 3.22 0.36 -3.43 1.43 -0.89 -5.09 118.68 111.60 3dr9 s LEU 92 Ca 0.15 1.61 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 3dr9 s LEU 92 Cb 0.17 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.83 3dr9 s LEU 92 CO 0.68 -1.26 0.02 0.42 0.23 0.00 0.00 176.35 176.44 3dr9 s THR 93 N -2.97 1.69 0.55 5.49 -4.23 -1.26 -4.57 115.64 110.34 3dr9 s THR 93 Ca 0.58 -2.02 0.35 0.00 -1.18 0.00 0.00 61.69 59.42 3dr9 s THR 93 Cb -0.14 -2.86 0.38 0.00 1.34 0.00 0.00 72.50 71.22 3dr9 s THR 93 CO 0.51 -0.04 2.25 0.71 -0.54 0.00 0.00 174.62 177.51 3dr9 h THR 94 N 1.95 0.31 -0.32 3.99 1.35 -1.85 -1.79 112.91 116.55 3dr9 h THR 94 Ca -0.42 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 3dr9 h THR 94 Cb 1.24 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 3dr9 h THR 94 CO 0.75 0.02 0.06 1.23 -0.25 0.00 0.00 175.52 177.33 3dr9 h GLY 95 N 0.32 0.49 0.99 5.82 0.00 -1.96 -0.48 103.07 108.26 3dr9 h GLY 95 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3dr9 h GLY 95 CO 0.00 0.24 0.32 3.43 0.00 0.00 0.00 176.54 180.54 3dr9 h ASN 96 N 0.45 0.63 -0.48 0.19 4.21 -1.73 -1.33 115.58 117.51 3dr9 h ASN 96 Ca 0.11 -0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.50 3dr9 h ASN 96 Cb 0.21 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 3dr9 h ASN 96 CO -0.00 0.49 0.02 -0.26 -1.29 0.00 0.00 177.43 176.39 3dr9 h PHE 97 N 0.71 0.91 -0.44 1.19 0.04 -1.50 -2.29 116.94 115.56 3dr9 h PHE 97 Ca 0.19 -0.15 0.09 0.00 2.80 0.00 0.00 57.97 60.90 3dr9 h PHE 97 Cb -0.03 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 37.80 3dr9 h PHE 97 CO -0.03 0.85 -0.11 0.93 -0.60 0.00 0.00 178.31 179.36 3dr9 h GLU 98 N 0.70 0.01 -0.61 1.51 5.08 -0.88 -1.78 114.58 118.61 3dr9 h GLU 98 Ca 0.14 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3dr9 h GLU 98 Cb 0.48 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3dr9 h GLU 98 CO 0.02 0.00 0.32 0.87 -1.00 0.00 0.00 179.01 179.22 3dr9 h LYS 99 N 0.01 0.86 -0.61 2.33 1.57 -1.11 0.77 116.57 120.38 3dr9 h LYS 99 Ca 0.21 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3dr9 h LYS 99 Cb 0.33 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3dr9 h LYS 99 CO -0.45 0.67 0.33 1.25 -0.57 0.00 0.00 179.45 180.68 3dr9 h LEU 100 N 0.83 0.49 -0.54 2.94 5.85 -0.99 -1.40 115.31 122.49 3dr9 h LEU 100 Ca 0.21 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 3dr9 h LEU 100 Cb 0.07 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3dr9 h LEU 100 CO -0.03 0.32 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.43 3dr9 h PHE 101 N 0.63 0.26 -0.28 1.25 -1.00 -0.73 0.18 116.94 117.24 3dr9 h PHE 101 Ca 0.27 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 3dr9 h PHE 101 Cb 0.16 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 3dr9 h PHE 101 CO -0.09 0.83 0.17 0.28 -1.61 0.00 0.00 178.31 177.89 3dr9 h VAL 102 N 0.13 1.11 -0.65 -0.55 2.07 -0.58 -0.49 116.25 117.29 3dr9 h VAL 102 Ca -0.02 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3dr9 h VAL 102 Cb 1.24 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3dr9 h VAL 102 CO 0.11 0.11 0.23 0.00 0.02 0.00 0.00 177.57 178.04 3dr9 h ALA 103 N 1.05 0.85 -0.44 1.67 0.00 -1.08 -1.43 119.26 119.89 3dr9 h ALA 103 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3dr9 h ALA 103 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3dr9 h ALA 103 CO -0.02 0.50 0.22 1.25 0.00 0.00 0.00 179.25 181.20 3dr9 h LEU 104 N 0.94 0.57 -0.60 0.00 6.46 -0.78 -0.25 115.31 121.65 3dr9 h LEU 104 Ca 0.21 -0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 3dr9 h LEU 104 Cb 0.25 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 3dr9 h LEU 104 CO -0.01 0.52 0.12 0.58 -0.62 0.00 0.00 178.44 179.04 3dr9 h VAL 105 N 0.57 1.25 -0.48 1.05 2.07 -0.96 -0.96 116.25 118.79 3dr9 h VAL 105 Ca 0.15 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3dr9 h VAL 105 Cb 0.10 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3dr9 h VAL 105 CO -0.02 0.35 0.29 -0.33 0.02 0.00 0.00 177.57 177.88 3dr9 h GLU 106 N 0.88 0.64 -0.33 1.57 5.08 -1.09 -0.49 114.58 120.84 3dr9 h GLU 106 Ca 0.18 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3dr9 h GLU 106 Cb 0.38 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3dr9 h GLU 106 CO 0.01 0.46 0.05 -0.92 -1.00 0.00 0.00 179.01 177.61 3dr9 h TYR 107 N 0.64 0.08 -0.70 4.33 3.20 -0.79 -1.19 116.97 122.53 3dr9 h TYR 107 Ca 0.17 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dr9 h TYR 107 Cb -0.02 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3dr9 h TYR 107 CO -0.03 0.00 0.43 0.52 -1.64 0.00 0.00 178.16 177.44 3dr9 h MET 108 N 0.16 0.95 0.00 1.82 2.86 -0.76 -1.46 114.93 118.51 3dr9 h MET 108 Ca 0.15 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 3dr9 h MET 108 Cb 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3dr9 h MET 108 CO -0.21 0.67 -0.43 0.00 1.06 0.00 0.00 176.91 178.00 3dr9 h ARG 109 N 0.96 0.00 0.00 1.72 3.08 -0.72 -2.78 114.38 116.64 3dr9 h ARG 109 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3dr9 h ARG 109 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3dr9 h ARG 109 CO -0.05 0.43 -0.37 0.00 -1.07 0.00 0.00 179.97 178.92 3dr9 h ALA 110 N 1.57 0.75 -2.45 0.04 0.00 -0.89 -3.47 119.26 114.80 3dr9 h ALA 110 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3dr9 h ALA 110 Cb 0.77 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.65 3dr9 h ALA 110 CO 0.06 0.00 0.38 0.45 0.00 0.00 0.00 179.25 180.14 3dr9 s SER 111 N -4.41 5.24 0.00 0.00 0.15 -0.58 -4.89 113.70 109.21 3dr9 s SER 111 Ca 0.08 1.99 -0.02 0.00 0.70 0.00 0.00 55.95 58.71 3dr9 s SER 111 Cb 0.13 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.82 3dr9 s SER 111 CO 0.67 -1.54 1.95 0.61 1.20 0.00 0.00 173.24 176.13 3dr9 n GLY 112 N -0.52 2.16 3.11 9.45 0.00 -1.26 -4.84 105.19 113.29 3dr9 n GLY 112 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3dr9 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dr9 s GLN 113 N 0.86 0.46 -0.28 1.61 -0.21 -1.26 -5.08 119.66 115.76 3dr9 s GLN 113 Ca 0.17 -0.30 -0.28 0.00 0.02 0.00 0.00 55.36 54.98 3dr9 s GLN 113 Cb 0.08 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 34.23 3dr9 s GLN 113 CO 0.00 -0.11 2.27 -1.54 -2.12 0.00 0.00 175.29 173.79 3dr9 s SER 114 N -1.18 5.21 0.14 5.90 1.04 -1.26 -4.92 113.70 118.62 3dr9 s SER 114 Ca -0.13 1.71 0.09 0.00 0.48 0.00 0.00 55.95 58.11 3dr9 s SER 114 Cb -0.07 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3dr9 s SER 114 CO 0.02 -2.18 -0.21 -0.36 0.98 0.00 0.00 173.24 171.48 3dr9 s PHE 115 N 9.24 1.94 -1.28 5.02 0.40 -1.26 -4.96 117.98 127.08 3dr9 s PHE 115 Ca 1.00 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 3dr9 s PHE 115 Cb -0.29 -1.02 0.15 0.00 0.51 0.00 0.00 43.02 42.37 3dr9 s PHE 115 CO 0.33 0.30 1.76 -3.47 0.70 0.00 0.00 175.22 174.84 3dr9 n ASP 116 N 0.71 5.00 -0.36 1.36 4.64 -1.26 -4.81 116.55 121.83 3dr9 n ASP 116 Ca -0.16 -3.03 -0.01 0.00 -1.38 0.00 0.00 54.79 50.21 3dr9 n ASP 116 Cb 0.55 -1.55 0.14 0.00 -1.04 0.00 0.00 41.12 39.22 3dr9 n ASP 116 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3dr9 h SER 117 N 6.34 1.10 -0.71 1.67 0.02 -1.95 -1.59 113.55 118.43 3dr9 h SER 117 Ca 0.39 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3dr9 h SER 117 Cb 0.72 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3dr9 h SER 117 CO 1.52 0.77 0.45 0.06 -1.14 0.00 0.00 176.83 178.49 3dr9 h GLN 118 N 1.28 0.95 -0.55 3.45 3.07 -1.97 -1.53 115.11 119.81 3dr9 h GLN 118 Ca 0.38 -0.07 -0.11 0.00 0.09 0.00 0.00 58.65 58.93 3dr9 h GLN 118 Cb -0.07 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.27 3dr9 h GLN 118 CO -0.10 0.65 -0.10 0.77 0.09 0.00 0.00 178.83 180.14 3dr9 h SER 119 N 0.97 1.04 -0.43 0.06 0.02 -1.71 -1.56 113.55 111.95 3dr9 h SER 119 Ca 0.26 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3dr9 h SER 119 Cb -0.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 3dr9 h SER 119 CO -0.05 1.15 0.09 -0.50 -1.14 0.00 0.00 176.83 176.37 3dr9 h TRP 120 N 0.92 0.80 -0.06 3.45 4.06 -1.12 0.12 115.95 124.12 3dr9 h TRP 120 Ca 0.14 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 3dr9 h TRP 120 Cb 0.67 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.60 3dr9 h TRP 120 CO 0.05 0.69 0.03 0.22 -3.56 0.00 0.00 178.44 175.87 3dr9 h ASP 121 N 0.74 0.07 -0.44 -3.49 -0.00 -1.09 -0.42 116.42 111.80 3dr9 h ASP 121 Ca 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.10 3dr9 h ASP 121 Cb 0.32 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.61 3dr9 h ASP 121 CO 0.00 0.14 0.29 -0.09 -0.00 0.00 0.00 179.24 179.58 3dr9 h ARG 122 N -0.01 0.57 -0.55 0.28 2.43 -0.95 -1.20 114.38 114.96 3dr9 h ARG 122 Ca 0.02 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3dr9 h ARG 122 Cb 0.09 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3dr9 h ARG 122 CO -0.00 0.38 0.30 0.35 -1.51 0.00 0.00 179.97 179.49 3dr9 h PHE 123 N 0.59 0.56 -0.51 2.20 3.04 -0.67 0.15 116.94 122.29 3dr9 h PHE 123 Ca 0.16 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.15 3dr9 h PHE 123 Cb -0.07 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.24 3dr9 h PHE 123 CO -0.05 0.29 0.31 0.78 -2.02 0.00 0.00 178.31 177.62 3dr9 h GLY 124 N 0.58 0.72 0.96 2.40 0.00 -0.60 0.19 103.07 107.32 3dr9 h GLY 124 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3dr9 h GLY 124 CO -0.14 0.20 0.17 0.50 0.00 0.00 0.00 176.54 177.27 3dr9 h LYS 125 N 0.61 0.45 -0.35 4.80 1.79 -0.82 -0.14 116.57 122.90 3dr9 h LYS 125 Ca 0.20 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.55 3dr9 h LYS 125 Cb 0.01 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 3dr9 h LYS 125 CO -0.09 0.38 -0.09 -0.91 -1.08 0.00 0.00 179.45 177.67 3dr9 h ASN 126 N 0.40 0.58 -0.38 0.86 2.35 -0.65 -1.80 115.58 116.93 3dr9 h ASN 126 Ca 0.11 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 3dr9 h ASN 126 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3dr9 h ASN 126 CO -0.02 0.70 -0.12 0.25 -1.65 0.00 0.00 177.43 176.60 3dr9 h LEU 127 N 0.55 0.77 -0.60 1.61 5.85 -0.30 -1.77 115.31 121.42 3dr9 h LEU 127 Ca 0.10 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.48 3dr9 h LEU 127 Cb 0.48 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3dr9 h LEU 127 CO 0.03 0.97 0.37 0.58 -0.34 0.00 0.00 178.44 180.04 3dr9 h VAL 128 N 0.56 1.07 -0.44 1.05 2.07 -0.75 0.17 116.25 119.98 3dr9 h VAL 128 Ca 0.09 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3dr9 h VAL 128 Cb 0.65 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3dr9 h VAL 128 CO 0.04 0.13 0.17 0.28 0.02 0.00 0.00 177.57 178.22 3dr9 h SER 129 N 0.72 0.20 -0.33 0.57 0.02 -1.20 -1.26 113.55 112.27 3dr9 h SER 129 Ca 0.24 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.13 3dr9 h SER 129 Cb 0.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3dr9 h SER 129 CO -0.10 0.15 -0.17 0.00 -1.14 0.00 0.00 176.83 175.57 3dr9 h ALA 130 N 1.27 0.92 -0.44 3.77 0.00 -0.63 -1.92 119.26 122.23 3dr9 h ALA 130 Ca 0.20 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3dr9 h ALA 130 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3dr9 h ALA 130 CO -0.19 0.62 0.14 -0.07 0.00 0.00 0.00 179.25 179.76 3dr9 h LEU 131 N 0.70 0.64 -0.25 0.00 3.38 -0.35 -1.56 115.31 117.87 3dr9 h LEU 131 Ca 0.11 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3dr9 h LEU 131 Cb 0.67 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3dr9 h LEU 131 CO 0.05 0.67 0.04 -1.28 0.09 0.00 0.00 178.44 178.00 3dr9 h SER 132 N 0.57 -0.01 -0.91 -0.43 0.87 -1.07 -1.73 113.55 110.85 3dr9 h SER 132 Ca 0.14 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3dr9 h SER 132 Cb 0.25 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3dr9 h SER 132 CO -0.01 0.03 0.57 -1.28 -0.53 0.00 0.00 176.83 175.61 3dr9 h SER 133 N 0.13 1.07 0.00 6.23 0.87 -1.19 -1.79 113.55 118.87 3dr9 h SER 133 Ca 0.12 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3dr9 h SER 133 Cb 0.13 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3dr9 h SER 133 CO -0.16 0.80 0.00 0.00 -0.53 0.00 0.00 176.83 176.94 3dr9 n ALA 134 N -2.40 2.46 0.00 6.23 0.00 -0.60 -4.86 120.51 121.34 3dr9 n ALA 134 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dr9 n ALA 134 Cb 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3dr9 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dr9 n GLY 135 N 0.61 0.91 3.73 0.00 0.00 -0.67 -4.96 105.19 104.81 3dr9 n GLY 135 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3dr9 n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dr9 s MET 136 N -0.24 4.55 0.00 1.61 0.00 -0.69 -5.00 119.30 119.53 3dr9 s MET 136 Ca 0.00 1.67 0.18 0.00 0.00 0.00 0.00 55.69 57.54 3dr9 s MET 136 Cb 0.00 -3.33 1.10 0.00 0.00 0.00 0.00 34.83 32.60 3dr9 s MET 136 CO 0.00 -0.03 1.50 1.63 0.00 0.00 0.00 175.02 178.12