#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuo h PHE 2 N 0.00 0.41 -0.60 1.61 3.57 -1.97 -0.23 116.94 119.73 3kuo h PHE 2 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3kuo h PHE 2 Cb 0.00 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3kuo h PHE 2 CO 0.00 0.19 0.17 -0.22 -2.23 0.00 0.00 178.31 176.22 3kuo h LYS 3 N 0.45 0.95 -0.80 1.11 3.64 -2.00 -2.24 116.57 117.68 3kuo h LYS 3 Ca 0.22 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3kuo h LYS 3 Cb 0.16 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3kuo h LYS 3 CO -0.18 0.86 0.33 0.37 -2.27 0.00 0.00 179.45 178.56 3kuo h GLN 4 N 0.87 1.20 -0.75 1.90 5.75 -1.91 -2.74 115.11 119.43 3kuo h GLN 4 Ca 0.19 -0.21 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3kuo h GLN 4 Cb 0.32 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 3kuo h GLN 4 CO -0.00 0.96 0.49 -0.44 -2.65 0.00 0.00 178.83 177.19 3kuo h ASP 5 N 1.17 0.69 -0.57 -0.69 3.45 -0.48 0.70 116.42 120.68 3kuo h ASP 5 Ca 0.27 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.76 3kuo h ASP 5 Cb 0.21 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 3kuo h ASP 5 CO -0.02 0.45 0.35 0.40 -1.57 0.00 0.00 179.24 178.84 3kuo h ILE 6 N 0.79 1.06 -0.63 0.35 2.04 -1.13 -0.80 117.51 119.18 3kuo h ILE 6 Ca 0.32 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 3kuo h ILE 6 Cb 0.26 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3kuo h ILE 6 CO -0.11 0.12 0.07 0.00 0.00 0.00 0.00 178.15 178.24 3kuo h ALA 7 N 1.25 0.84 -0.06 1.87 0.00 -0.95 -0.29 119.26 121.93 3kuo h ALA 7 Ca 0.23 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kuo h ALA 7 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kuo h ALA 7 CO -0.10 0.63 -0.06 1.15 0.00 0.00 0.00 179.25 180.87 3kuo h THR 8 N 0.97 0.82 -0.24 0.00 2.02 -0.61 -0.66 112.91 115.22 3kuo h THR 8 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3kuo h THR 8 Cb 0.47 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3kuo h THR 8 CO 0.02 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.42 3kuo h ILE 9 N -0.08 1.15 -0.09 3.11 2.04 -1.01 -2.78 117.51 119.84 3kuo h ILE 9 Ca 0.04 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3kuo h ILE 9 Cb 0.15 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3kuo h ILE 9 CO -0.11 0.15 -0.05 0.03 0.00 0.00 0.00 178.15 178.17 3kuo h ARG 10 N 0.25 0.12 0.00 2.37 3.08 -0.90 -1.60 114.38 117.70 3kuo h ARG 10 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kuo h ARG 10 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kuo h ARG 10 CO -0.01 0.19 0.00 0.78 -1.07 0.00 0.00 179.97 179.86 3kuo h GLY 11 N 0.41 0.00 -5.36 0.04 0.00 -0.83 -3.18 103.07 94.15 3kuo h GLY 11 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.99 3kuo h GLY 11 CO 0.01 0.00 -0.98 1.34 0.00 0.00 0.00 176.54 176.90 3kuo n ASP 12 N -2.99 0.26 -0.10 0.19 2.03 -0.88 -5.03 116.55 110.04 3kuo n ASP 12 Ca -0.00 -2.92 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 3kuo n ASP 12 Cb 0.23 -0.02 -0.04 0.00 -0.72 0.00 0.00 41.12 40.57 3kuo n ASP 12 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3kuo h LEU 13 N 2.87 0.49 -0.53 -2.67 5.85 -1.29 -1.18 115.31 118.85 3kuo h LEU 13 Ca -0.05 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.43 3kuo h LEU 13 Cb 1.11 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 3kuo h LEU 13 CO 0.37 0.69 0.19 -0.09 -0.34 0.00 0.00 178.44 179.27 3kuo h ARG 14 N 0.29 0.36 -0.08 1.25 2.43 -1.91 0.22 114.38 116.94 3kuo h ARG 14 Ca 0.08 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3kuo h ARG 14 Cb 0.44 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3kuo h ARG 14 CO 0.02 0.24 0.00 1.15 -1.51 0.00 0.00 179.97 179.87 3kuo h THR 15 N 0.37 1.25 -0.61 0.20 2.02 -1.86 -1.82 112.91 112.46 3kuo h THR 15 Ca 0.25 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 3kuo h THR 15 Cb 0.28 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3kuo h THR 15 CO -0.26 0.22 0.04 1.88 0.37 0.00 0.00 175.52 177.77 3kuo h TYR 16 N -0.14 1.14 -0.16 3.16 0.05 -1.00 -1.23 116.97 118.78 3kuo h TYR 16 Ca 0.02 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3kuo h TYR 16 Cb 0.34 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3kuo h TYR 16 CO 0.03 0.99 0.11 0.00 -1.05 0.00 0.00 178.16 178.24 3kuo h ALA 17 N 1.00 0.20 -0.38 3.88 0.00 -0.54 0.12 119.26 123.54 3kuo h ALA 17 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kuo h ALA 17 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kuo h ALA 17 CO 0.02 -0.31 0.04 1.96 0.00 0.00 0.00 179.25 180.97 3kuo h GLN 18 N 0.21 0.65 -0.56 0.00 4.20 -1.27 -1.20 115.11 117.15 3kuo h GLN 18 Ca 0.06 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3kuo h GLN 18 Cb -0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3kuo h GLN 18 CO -0.01 0.72 0.11 -0.44 -0.67 0.00 0.00 178.83 178.54 3kuo h ASP 19 N 0.49 0.87 -0.21 1.46 3.32 -0.95 0.16 116.42 121.56 3kuo h ASP 19 Ca 0.11 -0.25 -0.20 0.00 0.02 0.00 0.00 57.03 56.72 3kuo h ASP 19 Cb 0.40 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3kuo h ASP 19 CO 0.01 0.89 -0.63 0.40 -1.72 0.00 0.00 179.24 178.19 3kuo h ILE 20 N 0.80 1.29 -0.75 0.35 2.04 -0.74 -1.07 117.51 119.43 3kuo h ILE 20 Ca 0.17 -1.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.14 3kuo h ILE 20 Cb 0.38 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3kuo h ILE 20 CO 0.01 0.59 0.24 0.15 0.00 0.00 0.00 178.15 179.13 3kuo h PHE 21 N 0.54 1.20 -0.79 1.37 3.57 -1.12 -1.04 116.94 120.68 3kuo h PHE 21 Ca -0.02 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 3kuo h PHE 21 Cb 1.26 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 3kuo h PHE 21 CO 0.08 0.94 0.31 -0.07 -2.23 0.00 0.00 178.31 177.34 3kuo h LEU 22 N 1.11 1.09 -0.95 0.59 3.38 -0.90 -0.62 115.31 119.02 3kuo h LEU 22 Ca 0.24 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3kuo h LEU 22 Cb 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3kuo h LEU 22 CO -0.01 0.97 0.61 0.00 0.09 0.00 0.00 178.44 180.10 3kuo h ALA 23 N 1.16 1.29 0.21 1.53 0.00 -0.62 0.11 119.26 122.95 3kuo h ALA 23 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kuo h ALA 23 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kuo h ALA 23 CO -0.02 0.41 -0.10 0.35 0.00 0.00 0.00 179.25 179.89 3kuo h PHE 24 N 1.13 -0.26 -0.37 0.00 3.57 -0.56 -1.05 116.94 119.40 3kuo h PHE 24 Ca 0.40 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.84 3kuo h PHE 24 Cb 0.12 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3kuo h PHE 24 CO -0.01 -0.07 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.91 3kuo h LEU 25 N -0.41 0.55 -0.30 0.59 3.38 -0.77 -0.46 115.31 117.89 3kuo h LEU 25 Ca -0.03 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 3kuo h LEU 25 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kuo h LEU 25 CO 0.05 0.64 -0.86 0.78 0.09 0.00 0.00 178.44 179.13 3kuo h ASN 26 N 0.55 0.26 -0.10 -0.43 2.35 -0.75 -1.53 115.58 115.94 3kuo h ASN 26 Ca 0.11 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.49 3kuo h ASN 26 Cb 0.38 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3kuo h ASN 26 CO 0.02 1.00 -0.55 0.50 -1.65 0.00 0.00 177.43 176.75 3kuo h LYS 27 N 0.11 0.69 -2.27 0.81 3.64 -0.91 -3.38 116.57 115.26 3kuo h LYS 27 Ca -0.04 -0.43 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 3kuo h LYS 27 Cb 1.48 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.95 3kuo h LYS 27 CO 0.13 1.05 -0.82 0.66 -2.27 0.00 0.00 179.45 178.21 3kuo n TYR 28 N -3.98 1.63 0.18 1.91 4.01 -0.20 -4.97 117.16 115.73 3kuo n TYR 28 Ca -0.04 -3.87 0.16 0.00 -0.16 0.00 0.00 57.90 54.00 3kuo n TYR 28 Cb 0.61 -0.39 0.77 0.00 -0.31 0.00 0.00 39.34 40.02 3kuo n TYR 28 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3kuo h PRO 29 N 4.46 0.00 0.00 -0.72 0.13 -1.46 -0.91 132.00 133.50 3kuo h PRO 29 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3kuo h PRO 29 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kuo h PRO 29 CO 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 3kuo n ASP 30 N -4.08 0.38 0.17 1.44 5.68 -1.26 -1.86 116.55 117.02 3kuo n ASP 30 Ca 0.02 0.58 0.13 0.00 -0.50 0.00 0.00 54.79 55.03 3kuo n ASP 30 Cb 0.32 -0.67 0.58 0.00 -1.14 0.00 0.00 41.12 40.22 3kuo n ASP 30 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3kuo h GLU 31 N 0.00 0.00 0.00 0.11 4.39 -1.50 -2.86 114.58 114.72 3kuo h GLU 31 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kuo h GLU 31 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3kuo h GLU 31 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3kuo h ARG 32 N 0.00 0.00 0.00 2.33 3.08 -1.56 -2.65 114.38 115.59 3kuo h ARG 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kuo h ARG 32 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kuo h ARG 32 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 179.97 178.97 3kuo h ARG 33 N 0.00 0.00 0.00 0.04 0.11 -1.75 -1.02 114.38 111.76 3kuo h ARG 33 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kuo h ARG 33 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3kuo h ARG 33 CO 0.00 0.00 -0.27 0.66 0.10 0.00 0.00 179.97 180.46 3kuo n TYR 34 N -2.88 0.67 -4.02 4.08 4.01 -1.00 -4.87 117.16 113.15 3kuo n TYR 34 Ca -0.01 0.20 -0.23 0.00 -0.16 0.00 0.00 57.90 57.69 3kuo n TYR 34 Cb 0.14 -0.76 -0.06 0.00 -0.31 0.00 0.00 39.34 38.35 3kuo n TYR 34 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3kuo s PHE 35 N -3.11 2.66 -0.09 -0.72 0.08 -0.39 -5.13 117.98 111.28 3kuo s PHE 35 Ca 0.09 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 3kuo s PHE 35 Cb 0.13 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 3kuo s PHE 35 CO 0.64 0.19 -0.04 0.21 -0.10 0.00 0.00 175.22 176.13 3kuo s LYS 36 N -3.92 3.03 -1.67 0.44 2.20 -1.26 -4.68 119.74 113.88 3kuo s LYS 36 Ca 0.41 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 3kuo s LYS 36 Cb 0.00 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 3kuo s LYS 36 CO 0.24 0.58 0.00 0.27 -0.36 0.00 0.00 175.35 176.08 3kuo n ASN 37 N 2.48 -5.46 -0.06 1.43 0.23 -1.26 -4.90 115.26 107.73 3kuo n ASN 37 Ca -0.18 0.03 -0.15 0.00 -0.53 0.00 0.00 54.58 53.75 3kuo n ASN 37 Cb 0.53 -4.52 -0.14 0.00 -2.08 0.00 0.00 39.78 33.57 3kuo n ASN 37 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3kuo n TYR 38 N -3.85 0.61 -1.77 -2.53 4.02 -1.26 -4.96 117.16 107.41 3kuo n TYR 38 Ca -0.22 0.16 -0.38 0.00 -0.01 0.00 0.00 57.90 57.45 3kuo n TYR 38 Cb 0.67 -1.09 0.05 0.00 -0.02 0.00 0.00 39.34 38.94 3kuo n TYR 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kuo s VAL 39 N -2.54 2.06 0.00 -0.72 1.01 -1.26 -3.47 120.40 115.48 3kuo s VAL 39 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3kuo s VAL 39 Cb 0.07 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3kuo s VAL 39 CO 0.75 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.46 3kuo n GLY 40 N 0.76 0.53 3.13 4.51 0.00 -1.26 -5.03 105.19 107.82 3kuo n GLY 40 Ca 0.12 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 3kuo n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kuo s LYS 41 N -0.76 1.38 0.87 1.61 1.02 -1.23 -5.13 119.74 117.50 3kuo s LYS 41 Ca 0.00 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 3kuo s LYS 41 Cb 0.00 -1.29 0.11 0.00 -0.52 0.00 0.00 37.83 36.13 3kuo s LYS 41 CO 0.00 0.30 1.16 -1.54 -0.92 0.00 0.00 175.35 174.34 3kuo s SER 42 N -0.22 3.92 0.20 2.83 1.04 -1.26 -4.82 113.70 115.39 3kuo s SER 42 Ca 0.03 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.22 3kuo s SER 42 Cb -0.08 -1.43 0.24 0.00 0.10 0.00 0.00 66.02 64.85 3kuo s SER 42 CO 0.00 -2.28 1.69 0.44 0.98 0.00 0.00 173.24 174.07 3kuo h ASP 43 N -1.31 -0.13 -0.16 7.02 3.45 -2.00 -1.04 116.42 122.25 3kuo h ASP 43 Ca -0.49 0.12 -0.10 0.00 0.43 0.00 0.00 57.03 56.99 3kuo h ASP 43 Cb 1.33 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 40.28 3kuo h ASP 43 CO 0.64 -0.04 -0.22 1.56 -1.57 0.00 0.00 179.24 179.61 3kuo h GLN 44 N 0.17 0.59 -0.44 3.56 1.08 -1.99 -0.65 115.11 117.44 3kuo h GLN 44 Ca 0.28 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3kuo h GLN 44 Cb 0.42 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3kuo h GLN 44 CO -0.42 0.77 0.21 0.93 -0.95 0.00 0.00 178.83 179.37 3kuo h GLU 45 N 0.53 0.64 -0.50 1.46 5.08 -1.77 -2.62 114.58 117.40 3kuo h GLU 45 Ca 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kuo h GLU 45 Cb 0.66 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3kuo h GLU 45 CO 0.05 0.56 0.23 -0.07 -1.00 0.00 0.00 179.01 178.77 3kuo h LEU 46 N 0.57 0.66 -2.34 1.33 3.38 -0.83 -2.81 115.31 115.27 3kuo h LEU 46 Ca 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kuo h LEU 46 Cb 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kuo h LEU 46 CO -0.02 0.62 -0.04 0.11 0.09 0.00 0.00 178.44 179.21 3kuo h LYS 47 N 0.66 0.00 -0.13 1.13 1.57 -0.96 -1.78 116.57 117.05 3kuo h LYS 47 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kuo h LYS 47 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kuo h LYS 47 CO -0.02 0.04 0.00 0.45 -0.57 0.00 0.00 179.45 179.35 3kuo n SER 48 N -3.38 2.79 -4.65 0.86 2.88 -1.00 -4.71 113.62 106.41 3kuo n SER 48 Ca -0.02 -1.90 -0.43 0.00 -1.33 0.00 0.00 58.87 55.19 3kuo n SER 48 Cb 0.16 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 3kuo n SER 48 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3kuo s MET 49 N -1.85 4.23 0.30 -1.46 0.00 -0.67 -4.95 119.30 114.89 3kuo s MET 49 Ca 0.33 1.24 0.01 0.00 0.00 0.00 0.00 55.69 57.26 3kuo s MET 49 Cb 0.21 -3.65 0.53 0.00 0.00 0.00 0.00 34.83 31.92 3kuo s MET 49 CO 0.31 -0.63 1.90 0.00 0.00 0.00 0.00 175.02 176.60 3kuo h ALA 50 N 7.55 1.52 0.00 4.11 0.00 -1.87 -1.18 119.26 129.40 3kuo h ALA 50 Ca -0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3kuo h ALA 50 Cb 1.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kuo h ALA 50 CO 0.96 0.32 -0.28 1.57 0.00 0.00 0.00 179.25 181.82 3kuo h LYS 51 N 1.03 0.00 -0.01 0.00 2.10 -1.93 -1.93 116.57 115.83 3kuo h LYS 51 Ca 0.41 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3kuo h LYS 51 Cb 0.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 3kuo h LYS 51 CO -0.17 0.28 -0.00 0.35 -2.00 0.00 0.00 179.45 177.91 3kuo h PHE 52 N 0.00 0.03 -0.56 0.07 3.57 -1.47 0.45 116.94 119.02 3kuo h PHE 52 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3kuo h PHE 52 Cb 0.72 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3kuo h PHE 52 CO 0.00 0.38 0.33 0.78 -2.23 0.00 0.00 178.31 177.57 3kuo h GLY 53 N -0.34 0.80 0.94 2.40 0.00 -1.40 -0.32 103.07 105.15 3kuo h GLY 53 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kuo h GLY 53 CO 0.00 0.20 0.16 -1.80 0.00 0.00 0.00 176.54 175.10 3kuo h ASP 54 N 0.65 0.45 0.45 0.19 3.58 -1.24 -1.40 116.42 119.10 3kuo h ASP 54 Ca 0.23 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 3kuo h ASP 54 Cb 0.05 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3kuo h ASP 54 CO -0.11 0.46 -0.22 -0.74 -2.88 0.00 0.00 179.24 175.75 3kuo h HIS 55 N 0.41 -0.56 -0.97 0.28 2.76 -0.72 -1.88 115.15 114.47 3kuo h HIS 55 Ca 0.12 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3kuo h HIS 55 Cb 0.13 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 3kuo h HIS 55 CO -0.01 -0.35 0.64 1.79 -1.30 0.00 0.00 177.93 178.70 3kuo h THR 56 N -0.60 1.18 -0.43 6.26 1.35 -0.97 -0.24 112.91 119.46 3kuo h THR 56 Ca -0.06 -0.43 -0.02 0.00 -0.55 0.00 0.00 66.41 65.35 3kuo h THR 56 Cb 0.46 -0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.69 3kuo h THR 56 CO 0.10 0.23 0.19 -0.33 -0.25 0.00 0.00 175.52 175.46 3kuo h GLU 57 N 1.24 0.62 -0.64 4.72 5.08 -1.19 -1.18 114.58 123.23 3kuo h GLU 57 Ca 0.39 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3kuo h GLU 57 Cb -0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3kuo h GLU 57 CO -0.12 0.56 0.21 0.87 -1.00 0.00 0.00 179.01 179.53 3kuo h LYS 58 N 0.54 0.99 -0.09 2.33 1.57 -0.54 0.19 116.57 121.56 3kuo h LYS 58 Ca 0.14 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kuo h LYS 58 Cb 0.15 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kuo h LYS 58 CO -0.02 0.86 0.05 0.28 -0.57 0.00 0.00 179.45 180.05 3kuo h VAL 59 N 0.92 1.11 0.00 0.50 2.07 -0.92 -2.22 116.25 117.72 3kuo h VAL 59 Ca 0.21 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 3kuo h VAL 59 Cb 0.28 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3kuo h VAL 59 CO -0.01 0.10 -0.68 -0.26 0.02 0.00 0.00 177.57 176.74 3kuo h PHE 60 N 0.03 0.00 -0.09 1.57 0.04 -1.05 0.14 116.94 117.58 3kuo h PHE 60 Ca 0.03 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3kuo h PHE 60 Cb 0.12 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 3kuo h PHE 60 CO -0.03 0.68 -0.15 -0.91 -0.60 0.00 0.00 178.31 177.30 3kuo h ASN 61 N 0.00 -0.45 -0.34 2.17 2.35 -0.57 -0.49 115.58 118.26 3kuo h ASN 61 Ca -0.01 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 3kuo h ASN 61 Cb 1.36 0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.94 3kuo h ASN 61 CO 0.09 -0.19 -0.40 0.25 -1.65 0.00 0.00 177.43 175.52 3kuo h LEU 62 N -0.20 0.94 -0.65 1.61 5.85 -1.21 -2.39 115.31 119.26 3kuo h LEU 62 Ca 0.08 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3kuo h LEU 62 Cb 0.31 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3kuo h LEU 62 CO -0.21 1.24 0.36 -0.03 -0.34 0.00 0.00 178.44 179.45 3kuo h MET 63 N 0.66 0.64 -0.45 1.25 4.05 -0.57 -0.17 114.93 120.34 3kuo h MET 63 Ca 0.05 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 3kuo h MET 63 Cb 1.00 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 3kuo h MET 63 CO 0.10 0.42 -0.03 0.52 0.23 0.00 0.00 176.91 178.15 3kuo h MET 64 N 0.66 0.75 -0.50 0.39 2.86 -1.01 0.15 114.93 118.24 3kuo h MET 64 Ca 0.29 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3kuo h MET 64 Cb 0.19 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3kuo h MET 64 CO -0.19 0.78 0.27 0.93 1.06 0.00 0.00 176.91 179.77 3kuo h GLU 65 N 0.70 0.69 -0.51 1.72 5.08 -0.81 0.93 114.58 122.39 3kuo h GLU 65 Ca 0.13 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kuo h GLU 65 Cb 0.48 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3kuo h GLU 65 CO 0.02 0.54 0.17 0.28 -1.00 0.00 0.00 179.01 179.02 3kuo h VAL 66 N 0.66 1.23 -0.86 3.13 2.07 -0.68 -0.16 116.25 121.64 3kuo h VAL 66 Ca 0.17 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3kuo h VAL 66 Cb 0.05 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3kuo h VAL 66 CO -0.03 0.27 0.48 0.00 0.02 0.00 0.00 177.57 178.31 3kuo h ALA 67 N 1.03 1.10 -0.12 1.67 0.00 -0.81 -2.21 119.26 119.90 3kuo h ALA 67 Ca 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kuo h ALA 67 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kuo h ALA 67 CO -0.01 0.59 -0.48 0.22 0.00 0.00 0.00 179.25 179.58 3kuo h ASP 68 N 1.19 0.34 1.17 0.00 -0.00 -0.37 -2.65 116.42 116.11 3kuo h ASP 68 Ca 0.30 -0.16 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3kuo h ASP 68 Cb 0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 3kuo h ASP 68 CO -0.05 0.77 0.00 0.54 -0.00 0.00 0.00 179.24 180.50 3kuo n ARG 69 N -3.97 0.11 -1.31 0.28 1.74 -0.11 -4.88 116.66 108.52 3kuo n ARG 69 Ca -0.02 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.86 3kuo n ARG 69 Cb 0.54 -1.64 0.09 0.00 -1.02 0.00 0.00 32.46 30.43 3kuo n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kuo s ALA 70 N -3.05 2.32 -0.12 7.54 0.00 -0.85 -4.59 121.76 123.01 3kuo s ALA 70 Ca 0.12 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.36 3kuo s ALA 70 Cb 0.16 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3kuo s ALA 70 CO 0.55 -1.69 -0.22 0.99 0.00 0.00 0.00 175.76 175.39 3kuo s THR 71 N -2.91 1.99 -1.59 0.00 2.01 -0.85 -4.73 115.64 109.56 3kuo s THR 71 Ca 0.61 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 3kuo s THR 71 Cb -0.17 -1.75 0.10 0.00 0.01 0.00 0.00 72.50 70.70 3kuo s THR 71 CO 0.56 0.54 0.74 0.47 -0.69 0.00 0.00 174.62 176.24 3kuo n ASP 72 N 3.79 -2.87 -1.18 3.53 8.00 -1.26 -0.59 116.55 125.97 3kuo n ASP 72 Ca -0.20 -0.96 -0.15 0.00 0.71 0.00 0.00 54.79 54.19 3kuo n ASP 72 Cb 0.52 -3.08 -0.07 0.00 -0.02 0.00 0.00 41.12 38.48 3kuo n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kuo n SER 73 N -2.78 -4.92 -4.41 -2.24 7.64 -1.26 -4.95 113.62 100.70 3kuo n SER 73 Ca -0.03 0.38 -0.40 0.00 1.01 0.00 0.00 58.87 59.84 3kuo n SER 73 Cb 0.55 -3.77 -0.11 0.00 -1.01 0.00 0.00 64.21 59.86 3kuo n SER 73 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kuo s VAL 74 N -2.55 4.60 0.68 0.44 1.01 0.24 -3.97 120.40 120.85 3kuo s VAL 74 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3kuo s VAL 74 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.93 3kuo s VAL 74 CO 0.00 -0.08 1.08 -2.16 0.00 0.00 0.00 175.10 173.93 3kuo s PRO 75 N 1.59 2.86 0.33 2.72 0.04 -1.26 -2.00 135.00 139.27 3kuo s PRO 75 Ca 0.03 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 3kuo s PRO 75 Cb -0.18 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3kuo s PRO 75 CO 0.06 -1.18 1.43 -0.51 0.04 0.00 0.00 177.00 176.85 3kuo s LEU 76 N -5.22 4.37 0.32 -3.56 1.43 -1.26 -4.91 118.68 109.84 3kuo s LEU 76 Ca 0.62 2.86 0.05 0.00 -1.03 0.00 0.00 54.13 56.63 3kuo s LEU 76 Cb -0.16 -3.65 0.70 0.00 0.03 0.00 0.00 46.19 43.10 3kuo s LEU 76 CO 0.48 -0.74 1.86 0.00 0.23 0.00 0.00 176.35 178.18 3kuo h ALA 77 N 3.64 1.69 -0.42 4.21 0.00 -1.97 -1.90 119.26 124.51 3kuo h ALA 77 Ca -0.49 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3kuo h ALA 77 Cb 1.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3kuo h ALA 77 CO 0.68 0.08 0.03 0.66 0.00 0.00 0.00 179.25 180.70 3kuo h SER 78 N 0.83 0.61 -0.46 0.00 4.64 -1.99 -0.35 113.55 116.84 3kuo h SER 78 Ca 0.46 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.58 3kuo h SER 78 Cb 0.58 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3kuo h SER 78 CO -0.22 0.67 0.01 0.44 -0.87 0.00 0.00 176.83 176.85 3kuo h ASP 79 N 0.62 0.79 -0.53 4.97 3.45 -1.74 -1.15 116.42 122.84 3kuo h ASP 79 Ca 0.13 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 3kuo h ASP 79 Cb 0.35 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3kuo h ASP 79 CO 0.01 0.90 0.26 0.00 -1.57 0.00 0.00 179.24 178.84 3kuo h ALA 80 N 0.92 0.69 -0.38 3.45 0.00 -1.06 -2.06 119.26 120.81 3kuo h ALA 80 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kuo h ALA 80 Cb 0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3kuo h ALA 80 CO 0.02 0.25 0.17 -0.97 0.00 0.00 0.00 179.25 178.73 3kuo h ASN 81 N 0.72 0.24 -0.61 0.00 -0.00 -0.91 -1.20 115.58 113.82 3kuo h ASN 81 Ca 0.18 0.03 0.05 0.00 -0.00 0.00 0.00 56.30 56.56 3kuo h ASN 81 Cb 0.12 -0.02 -0.05 0.00 -0.00 0.00 0.00 38.32 38.37 3kuo h ASN 81 CO -0.02 0.18 0.33 0.74 -0.00 0.00 0.00 177.43 178.65 3kuo h THR 82 N 0.36 0.96 -0.41 -3.57 2.02 -1.04 -0.74 112.91 110.49 3kuo h THR 82 Ca 0.17 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3kuo h THR 82 Cb 0.10 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 3kuo h THR 82 CO -0.13 0.11 0.09 -0.07 0.37 0.00 0.00 175.52 175.89 3kuo h LEU 83 N 0.61 0.57 -0.26 2.58 3.38 -0.83 -1.88 115.31 119.48 3kuo h LEU 83 Ca 0.27 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 3kuo h LEU 83 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kuo h LEU 83 CO -0.17 0.57 -0.62 0.58 0.09 0.00 0.00 178.44 178.89 3kuo h VAL 84 N 0.60 1.28 0.00 1.22 2.07 -0.54 -3.32 116.25 117.55 3kuo h VAL 84 Ca 0.14 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3kuo h VAL 84 Cb 0.24 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3kuo h VAL 84 CO -0.00 0.58 -0.24 0.00 0.02 0.00 0.00 177.57 177.94 3kuo n GLN 85 N -3.98 0.22 -1.69 1.57 1.13 -0.35 -4.68 117.38 109.60 3kuo n GLN 85 Ca -0.05 0.13 -0.44 0.00 -1.94 0.00 0.00 57.00 54.70 3kuo n GLN 85 Cb 0.66 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 3kuo n GLN 85 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3kuo n MET 86 N -2.07 2.46 -0.14 -1.09 2.81 -0.73 -4.85 117.12 113.52 3kuo n MET 86 Ca 0.05 0.89 0.12 0.00 -1.81 0.00 0.00 57.70 56.95 3kuo n MET 86 Cb 0.42 -2.72 0.47 0.00 -0.71 0.00 0.00 33.22 30.67 3kuo n MET 86 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kuo h LYS 87 N 7.26 0.48 0.00 0.03 2.10 -1.92 -0.28 116.57 124.23 3kuo h LYS 87 Ca -0.45 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3kuo h LYS 87 Cb 1.24 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3kuo h LYS 87 CO 0.93 0.32 0.00 1.96 -2.00 0.00 0.00 179.45 180.65 3kuo h GLN 88 N 0.49 0.00 -0.51 0.07 4.20 -1.96 -2.37 115.11 115.03 3kuo h GLN 88 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 3kuo h GLN 88 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3kuo h GLN 88 CO -0.11 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.77 3kuo n HIS 89 N -2.50 0.94 0.14 2.96 8.25 -0.12 -4.74 115.22 120.15 3kuo n HIS 89 Ca 0.00 -0.58 0.08 0.00 -0.26 0.00 0.00 57.72 56.96 3kuo n HIS 89 Cb 0.18 -0.12 0.57 0.00 1.12 0.00 0.00 29.99 31.73 3kuo n HIS 89 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kuo h SER 90 N 3.09 0.17 0.42 0.41 4.64 -1.43 -2.48 113.55 118.37 3kuo h SER 90 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kuo h SER 90 Cb 1.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kuo h SER 90 CO 0.10 0.12 -0.56 -1.20 -0.87 0.00 0.00 176.83 174.42 3kuo n SER 91 N -4.51 0.60 -4.80 4.97 7.64 -1.26 -4.98 113.62 111.27 3kuo n SER 91 Ca 0.00 -0.39 -0.32 0.00 1.01 0.00 0.00 58.87 59.18 3kuo n SER 91 Cb 0.12 0.36 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 3kuo n SER 91 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kuo s LEU 92 N -2.98 3.37 0.34 -3.43 1.43 -0.94 -5.09 118.68 111.39 3kuo s LEU 92 Ca 0.11 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 3kuo s LEU 92 Cb 0.17 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 3kuo s LEU 92 CO 0.72 -1.31 -0.05 0.42 0.23 0.00 0.00 176.35 176.36 3kuo s THR 93 N -2.63 1.97 0.51 5.49 -4.23 -1.26 -4.57 115.64 110.93 3kuo s THR 93 Ca 0.62 -2.12 0.28 0.00 -1.18 0.00 0.00 61.69 59.29 3kuo s THR 93 Cb -0.16 -2.70 0.32 0.00 1.34 0.00 0.00 72.50 71.31 3kuo s THR 93 CO 0.43 -0.16 2.17 0.71 -0.54 0.00 0.00 174.62 177.23 3kuo h THR 94 N 2.03 0.57 -0.21 3.99 1.35 -1.86 -2.07 112.91 116.70 3kuo h THR 94 Ca -0.42 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3kuo h THR 94 Cb 1.24 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3kuo h THR 94 CO 0.72 0.06 0.11 1.23 -0.25 0.00 0.00 175.52 177.38 3kuo h GLY 95 N 0.38 0.30 1.00 5.82 0.00 -1.96 -1.19 103.07 107.42 3kuo h GLY 95 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3kuo h GLY 95 CO 0.01 0.12 0.37 3.43 0.00 0.00 0.00 176.54 180.46 3kuo h ASN 96 N 0.28 0.80 -0.41 0.19 4.21 -1.79 -1.56 115.58 117.31 3kuo h ASN 96 Ca 0.07 -0.08 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 3kuo h ASN 96 Cb 0.02 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 3kuo h ASN 96 CO -0.01 0.65 -0.24 -0.26 -1.29 0.00 0.00 177.43 176.27 3kuo h PHE 97 N 0.88 1.02 -0.61 1.19 0.04 -1.44 -2.35 116.94 115.68 3kuo h PHE 97 Ca 0.23 -0.27 0.06 0.00 2.80 0.00 0.00 57.97 60.79 3kuo h PHE 97 Cb 0.02 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 37.88 3kuo h PHE 97 CO -0.01 1.06 0.31 1.49 -0.60 0.00 0.00 178.31 180.56 3kuo h GLU 98 N 0.70 0.56 -0.63 1.51 4.81 -1.04 -1.84 114.58 118.65 3kuo h GLU 98 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3kuo h GLU 98 Cb 0.81 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3kuo h GLU 98 CO 0.07 0.37 0.30 0.87 -0.73 0.00 0.00 179.01 179.89 3kuo h LYS 99 N 0.58 0.90 -0.44 1.92 1.57 -1.16 0.42 116.57 120.37 3kuo h LYS 99 Ca 0.28 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3kuo h LYS 99 Cb 0.21 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3kuo h LYS 99 CO -0.20 0.73 0.09 1.25 -0.57 0.00 0.00 179.45 180.75 3kuo h LEU 100 N 0.86 0.01 -0.72 2.94 5.85 -0.96 -1.57 115.31 121.71 3kuo h LEU 100 Ca 0.21 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.87 3kuo h LEU 100 Cb 0.12 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3kuo h LEU 100 CO -0.03 0.04 -0.56 -0.26 -0.34 0.00 0.00 178.44 177.29 3kuo h PHE 101 N 0.22 0.30 -0.47 1.25 0.04 -0.90 -0.56 116.94 116.83 3kuo h PHE 101 Ca 0.21 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3kuo h PHE 101 Cb 0.27 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3kuo h PHE 101 CO -0.21 0.74 0.27 0.28 -0.60 0.00 0.00 178.31 178.79 3kuo h VAL 102 N 0.19 1.16 -0.59 -0.55 2.07 -0.60 -0.63 116.25 117.30 3kuo h VAL 102 Ca 0.00 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 3kuo h VAL 102 Cb 1.04 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kuo h VAL 102 CO 0.09 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.92 3kuo h ALA 103 N 1.11 0.79 -0.60 1.67 0.00 -1.01 -1.54 119.26 119.69 3kuo h ALA 103 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kuo h ALA 103 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kuo h ALA 103 CO -0.03 0.56 0.32 1.25 0.00 0.00 0.00 179.25 181.36 3kuo h LEU 104 N 0.90 0.76 -0.49 0.00 6.46 -0.92 -0.68 115.31 121.34 3kuo h LEU 104 Ca 0.18 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 3kuo h LEU 104 Cb 0.45 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3kuo h LEU 104 CO 0.02 0.64 0.01 0.58 -0.62 0.00 0.00 178.44 179.07 3kuo h VAL 105 N 0.81 1.26 -0.60 1.05 2.07 -0.95 -1.33 116.25 118.56 3kuo h VAL 105 Ca 0.21 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3kuo h VAL 105 Cb 0.06 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3kuo h VAL 105 CO -0.03 0.37 0.36 -0.08 0.02 0.00 0.00 177.57 178.20 3kuo h GLU 106 N 0.71 0.82 -0.31 1.57 4.81 -1.08 -1.19 114.58 119.91 3kuo h GLU 106 Ca 0.14 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3kuo h GLU 106 Cb 0.49 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3kuo h GLU 106 CO 0.02 0.59 0.12 -0.92 -0.73 0.00 0.00 179.01 178.10 3kuo h TYR 107 N 0.81 0.23 -0.80 0.92 3.20 -0.87 -1.50 116.97 118.96 3kuo h TYR 107 Ca 0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3kuo h TYR 107 Cb -0.01 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 3kuo h TYR 107 CO -0.02 0.11 0.50 0.52 -1.64 0.00 0.00 178.16 177.63 3kuo h MET 108 N 0.27 1.08 -0.42 1.82 2.86 -0.76 -1.31 114.93 118.48 3kuo h MET 108 Ca 0.14 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 3kuo h MET 108 Cb 0.09 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3kuo h MET 108 CO -0.12 0.75 -0.11 0.00 1.06 0.00 0.00 176.91 178.48 3kuo h ARG 109 N 1.10 0.74 0.00 1.72 3.08 -0.97 -2.77 114.38 117.28 3kuo h ARG 109 Ca 0.29 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3kuo h ARG 109 Cb -0.07 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3kuo h ARG 109 CO -0.06 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.67 3kuo h ALA 110 N 1.20 1.00 -2.35 0.04 0.00 -0.79 -3.47 119.26 114.89 3kuo h ALA 110 Ca 0.12 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.52 3kuo h ALA 110 Cb 0.58 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.48 3kuo h ALA 110 CO 0.04 0.00 0.35 0.45 0.00 0.00 0.00 179.25 180.09 3kuo s SER 111 N -5.63 5.09 0.00 0.00 0.15 -0.54 -4.94 113.70 107.84 3kuo s SER 111 Ca 0.06 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.49 3kuo s SER 111 Cb 0.08 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3kuo s SER 111 CO 0.60 -1.64 0.88 0.61 1.20 0.00 0.00 173.24 174.89 3kuo n GLY 112 N -1.32 -0.85 3.92 9.45 0.00 -1.26 -4.88 105.19 110.25 3kuo n GLY 112 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3kuo n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kuo s GLN 113 N -1.98 3.51 -0.47 1.61 -1.52 -1.26 -5.02 119.66 114.53 3kuo s GLN 113 Ca 0.00 -0.34 -0.06 0.00 -1.95 0.00 0.00 55.36 53.01 3kuo s GLN 113 Cb 0.00 -2.91 -0.11 0.00 -0.22 0.00 0.00 33.01 29.77 3kuo s GLN 113 CO 0.00 0.48 3.17 -1.13 -0.25 0.00 0.00 175.29 177.56 3kuo n SER 114 N -0.25 6.33 -4.76 5.90 3.41 -1.26 -4.96 113.62 118.03 3kuo n SER 114 Ca -0.05 -2.77 -0.36 0.00 -0.26 0.00 0.00 58.87 55.43 3kuo n SER 114 Cb 0.53 -1.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.12 3kuo n SER 114 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kuo s PHE 115 N 0.13 2.53 -1.22 7.33 0.08 -1.26 -4.73 117.98 120.85 3kuo s PHE 115 Ca 0.64 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 59.10 3kuo s PHE 115 Cb 0.31 -3.42 0.19 0.00 -0.57 0.00 0.00 43.02 39.53 3kuo s PHE 115 CO -0.08 -1.94 1.56 -3.47 -0.10 0.00 0.00 175.22 171.18 3kuo n ASP 116 N -1.35 5.28 -0.35 1.36 4.64 -1.26 -4.85 116.55 120.01 3kuo n ASP 116 Ca 0.12 -3.05 0.01 0.00 -1.38 0.00 0.00 54.79 50.49 3kuo n ASP 116 Cb 0.50 -1.51 0.17 0.00 -1.04 0.00 0.00 41.12 39.24 3kuo n ASP 116 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3kuo h SER 117 N 6.53 1.05 -0.11 1.67 0.02 -1.93 -1.84 113.55 118.94 3kuo h SER 117 Ca 0.33 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3kuo h SER 117 Cb 0.78 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3kuo h SER 117 CO 1.36 0.70 -0.05 0.06 -1.14 0.00 0.00 176.83 177.76 3kuo h GLN 118 N 1.21 0.37 -0.05 3.45 3.07 -1.96 -1.32 115.11 119.88 3kuo h GLN 118 Ca 0.40 -0.08 -0.12 0.00 0.09 0.00 0.00 58.65 58.95 3kuo h GLN 118 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3kuo h GLN 118 CO -0.13 0.44 -0.50 0.77 0.09 0.00 0.00 178.83 179.50 3kuo h SER 119 N 0.36 0.14 0.46 0.06 0.02 -1.75 -1.25 113.55 111.58 3kuo h SER 119 Ca 0.08 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3kuo h SER 119 Cb 0.32 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3kuo h SER 119 CO 0.01 0.62 -0.63 -0.50 -1.14 0.00 0.00 176.83 175.20 3kuo h TRP 120 N 0.11 0.21 -0.03 3.45 4.06 -1.22 -0.42 115.95 122.11 3kuo h TRP 120 Ca 0.00 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 3kuo h TRP 120 Cb 0.92 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 3kuo h TRP 120 CO 0.01 0.74 0.01 0.22 -3.56 0.00 0.00 178.44 175.87 3kuo h ASP 121 N 0.12 0.04 -0.51 -3.49 1.82 -0.87 -0.98 116.42 112.55 3kuo h ASP 121 Ca -0.01 -0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.52 3kuo h ASP 121 Cb 1.13 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.10 3kuo h ASP 121 CO 0.09 0.14 0.33 0.03 -1.61 0.00 0.00 179.24 178.22 3kuo h ARG 122 N -0.07 0.64 -0.46 0.28 2.47 -1.12 -1.77 114.38 114.35 3kuo h ARG 122 Ca 0.01 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3kuo h ARG 122 Cb 0.12 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.24 3kuo h ARG 122 CO -0.00 0.43 0.17 0.35 0.56 0.00 0.00 179.97 181.47 3kuo h PHE 123 N 0.66 0.30 -0.55 3.04 3.57 -0.89 0.15 116.94 123.22 3kuo h PHE 123 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3kuo h PHE 123 Cb -0.05 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3kuo h PHE 123 CO -0.05 0.11 0.35 0.78 -2.23 0.00 0.00 178.31 177.27 3kuo h GLY 124 N 0.34 0.77 1.20 2.40 0.00 -0.86 0.15 103.07 107.08 3kuo h GLY 124 Ca 0.22 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 3kuo h GLY 124 CO -0.21 0.29 -0.17 0.07 0.00 0.00 0.00 176.54 176.52 3kuo h LYS 125 N 0.74 0.93 -0.19 4.80 2.10 -0.84 -1.02 116.57 123.09 3kuo h LYS 125 Ca 0.20 -0.36 -0.13 0.00 -2.00 0.00 0.00 60.65 58.36 3kuo h LYS 125 Cb -0.06 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.21 3kuo h LYS 125 CO -0.04 1.02 -0.42 -0.91 -2.00 0.00 0.00 179.45 177.10 3kuo h ASN 126 N 0.81 0.47 -0.39 7.07 2.35 -0.43 -1.59 115.58 123.87 3kuo h ASN 126 Ca 0.12 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3kuo h ASN 126 Cb 0.72 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3kuo h ASN 126 CO 0.06 0.83 0.06 0.25 -1.65 0.00 0.00 177.43 176.98 3kuo h LEU 127 N 0.36 0.63 -0.56 1.61 5.85 -0.50 -1.20 115.31 121.51 3kuo h LEU 127 Ca 0.03 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3kuo h LEU 127 Cb 0.89 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3kuo h LEU 127 CO 0.08 0.73 0.28 0.58 -0.34 0.00 0.00 178.44 179.77 3kuo h VAL 128 N 0.50 0.94 -0.68 1.05 2.07 -0.92 0.14 116.25 119.35 3kuo h VAL 128 Ca 0.12 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kuo h VAL 128 Cb 0.37 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3kuo h VAL 128 CO 0.01 0.10 0.40 0.28 0.02 0.00 0.00 177.57 178.38 3kuo h SER 129 N 0.54 0.82 -0.40 0.57 0.02 -1.10 -1.52 113.55 112.49 3kuo h SER 129 Ca 0.25 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3kuo h SER 129 Cb 0.17 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3kuo h SER 129 CO -0.18 0.65 -0.15 0.00 -1.14 0.00 0.00 176.83 176.01 3kuo h ALA 130 N 1.21 0.86 -0.80 3.77 0.00 -0.60 -1.48 119.26 122.21 3kuo h ALA 130 Ca 0.24 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kuo h ALA 130 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3kuo h ALA 130 CO -0.04 0.64 0.37 -0.07 0.00 0.00 0.00 179.25 180.15 3kuo h LEU 131 N 0.78 1.06 -0.40 0.00 3.38 -0.48 -1.18 115.31 118.45 3kuo h LEU 131 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kuo h LEU 131 Cb 0.68 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kuo h LEU 131 CO 0.05 0.90 0.21 0.28 0.09 0.00 0.00 178.44 179.98 3kuo h SER 132 N 1.14 0.51 -0.00 -0.43 0.02 -1.02 -1.13 113.55 112.64 3kuo h SER 132 Ca 0.27 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3kuo h SER 132 Cb 0.14 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3kuo h SER 132 CO -0.03 0.47 -0.06 0.28 -1.14 0.00 0.00 176.83 176.34 3kuo h SER 133 N 0.52 0.15 0.11 3.07 0.02 -0.94 -0.78 113.55 115.69 3kuo h SER 133 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3kuo h SER 133 Cb 0.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3kuo h SER 133 CO -0.02 0.24 -0.02 0.00 -1.14 0.00 0.00 176.83 175.89 3kuo n ALA 134 N -2.50 2.66 0.00 3.77 0.00 -0.48 -4.93 120.51 119.03 3kuo n ALA 134 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3kuo n ALA 134 Cb 0.20 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3kuo n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kuo n GLY 135 N 1.12 0.74 3.74 0.00 0.00 -0.30 -4.97 105.19 105.53 3kuo n GLY 135 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3kuo n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kuo s MET 136 N -0.51 4.36 0.00 1.61 0.00 -0.49 -4.98 119.30 119.28 3kuo s MET 136 Ca 0.00 2.13 0.23 0.00 0.00 0.00 0.00 55.69 58.05 3kuo s MET 136 Cb 0.00 -3.16 1.36 0.00 0.00 0.00 0.00 34.83 33.03 3kuo s MET 136 CO 0.00 -0.27 1.73 0.36 0.00 0.00 0.00 175.02 176.84