#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 0.53 -0.66 1.61 3.57 -1.99 -1.10 116.94 118.90 3kuo h PHE 2 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kuo h PHE 2 Cb 0.00 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3kuo h PHE 2 CO 0.00 0.28 0.42 0.87 -2.23 0.00 0.00 178.31 177.65 3kuo h LYS 3 N 0.56 0.89 -1.00 1.11 1.79 -2.00 -1.91 116.57 116.00 3kuo h LYS 3 Ca 0.22 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 3kuo h LYS 3 Cb 0.08 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.49 3kuo h LYS 3 CO -0.13 0.61 0.66 0.37 -1.08 0.00 0.00 179.45 179.88 3kuo h GLN 4 N 0.90 1.32 -0.68 3.15 5.75 -1.91 -2.72 115.11 120.92 3kuo h GLN 4 Ca 0.24 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3kuo h GLN 4 Cb -0.06 -0.30 -0.03 0.00 1.07 0.00 0.00 27.48 28.16 3kuo h GLN 4 CO -0.05 0.88 0.40 -0.44 -2.65 0.00 0.00 178.83 176.97 3kuo h ASP 5 N 1.36 0.81 -0.56 -0.69 3.45 -0.47 0.15 116.42 120.47 3kuo h ASP 5 Ca 0.37 -0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.82 3kuo h ASP 5 Cb -0.15 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.38 3kuo h ASP 5 CO -0.08 0.63 0.31 0.40 -1.57 0.00 0.00 179.24 178.93 3kuo h ILE 6 N 0.93 1.01 -0.59 0.35 2.04 -1.09 -0.24 117.51 119.93 3kuo h ILE 6 Ca 0.24 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3kuo h ILE 6 Cb -0.03 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3kuo h ILE 6 CO -0.05 0.11 0.29 0.00 0.00 0.00 0.00 178.15 178.51 3kuo h ALA 7 N 1.27 0.76 -0.09 1.87 0.00 -0.90 0.58 119.26 122.76 3kuo h ALA 7 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kuo h ALA 7 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kuo h ALA 7 CO -0.13 0.31 -0.04 1.15 0.00 0.00 0.00 179.25 180.54 3kuo h THR 8 N 0.80 0.87 -0.25 0.00 2.02 -0.40 -0.11 112.91 115.85 3kuo h THR 8 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 3kuo h THR 8 Cb 0.10 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3kuo h THR 8 CO -0.03 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.30 3kuo h ILE 9 N -0.03 1.23 -0.85 3.11 2.04 -0.92 -2.96 117.51 119.14 3kuo h ILE 9 Ca 0.05 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3kuo h ILE 9 Cb 0.10 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3kuo h ILE 9 CO -0.11 0.25 0.56 0.03 0.00 0.00 0.00 178.15 178.88 3kuo h ARG 10 N 0.22 1.07 -0.66 2.37 3.08 -0.77 -1.17 114.38 118.51 3kuo h ARG 10 Ca 0.07 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.14 3kuo h ARG 10 Cb 0.34 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3kuo h ARG 10 CO 0.01 0.71 0.44 0.78 -1.07 0.00 0.00 179.97 180.83 3kuo h GLY 11 N 1.10 0.78 -5.14 0.04 0.00 -0.84 -3.02 103.07 96.00 3kuo h GLY 11 Ca 0.32 -0.24 -0.48 0.00 0.00 0.00 0.00 47.33 46.94 3kuo h GLY 11 CO -0.08 0.16 -1.00 1.22 0.00 0.00 0.00 176.54 176.84 3kuo n ASP 12 N -4.48 2.60 0.01 0.19 8.00 -0.94 -4.98 116.55 116.95 3kuo n ASP 12 Ca 0.10 -3.18 -0.10 0.00 0.71 0.00 0.00 54.79 52.32 3kuo n ASP 12 Cb 0.30 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.83 3kuo n ASP 12 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kuo h LEU 13 N 2.89 -0.26 -0.42 0.64 5.85 -1.09 -1.65 115.31 121.27 3kuo h LEU 13 Ca 0.08 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3kuo h LEU 13 Cb 0.97 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3kuo h LEU 13 CO 0.64 -0.11 0.06 -0.09 -0.34 0.00 0.00 178.44 178.60 3kuo h ARG 14 N -0.10 0.18 -0.06 1.25 2.43 -1.90 0.17 114.38 116.35 3kuo h ARG 14 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3kuo h ARG 14 Cb 0.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3kuo h ARG 14 CO -0.15 0.12 -0.02 0.00 -1.51 0.00 0.00 179.97 178.42 3kuo h THR 15 N 0.19 1.30 -0.61 0.20 1.03 -1.85 -1.11 112.91 112.06 3kuo h THR 15 Ca 0.21 -0.93 -0.05 0.00 -0.01 0.00 0.00 66.41 65.62 3kuo h THR 15 Cb 0.27 1.80 -0.03 0.00 -1.07 0.00 0.00 68.15 69.13 3kuo h THR 15 CO -0.29 0.26 0.18 1.88 -0.01 0.00 0.00 175.52 177.54 3kuo h TYR 16 N -0.23 1.00 -0.14 0.00 0.05 -1.23 -0.49 116.97 115.93 3kuo h TYR 16 Ca 0.01 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.70 3kuo h TYR 16 Cb 0.41 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3kuo h TYR 16 CO 0.05 0.83 0.06 0.00 -1.05 0.00 0.00 178.16 178.06 3kuo h ALA 17 N 1.06 0.16 -0.35 3.88 0.00 -0.62 0.30 119.26 123.70 3kuo h ALA 17 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kuo h ALA 17 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kuo h ALA 17 CO -0.00 -0.38 0.12 1.96 0.00 0.00 0.00 179.25 180.95 3kuo h GLN 18 N 0.14 0.53 -0.38 0.00 4.20 -1.12 -1.24 115.11 117.24 3kuo h GLN 18 Ca 0.06 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3kuo h GLN 18 Cb 0.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3kuo h GLN 18 CO -0.04 0.53 0.17 -0.44 -0.67 0.00 0.00 178.83 178.38 3kuo h ASP 19 N 0.41 0.51 -0.28 1.46 3.32 -0.83 -0.94 116.42 120.07 3kuo h ASP 19 Ca 0.11 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 3kuo h ASP 19 Cb 0.22 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kuo h ASP 19 CO -0.01 0.52 -0.55 0.40 -1.72 0.00 0.00 179.24 177.89 3kuo h ILE 20 N 0.47 1.28 -0.69 0.35 2.04 -0.93 -1.35 117.51 118.68 3kuo h ILE 20 Ca 0.13 -1.73 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 3kuo h ILE 20 Cb 0.16 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3kuo h ILE 20 CO -0.01 0.56 0.19 0.15 0.00 0.00 0.00 178.15 179.04 3kuo h PHE 21 N 0.65 1.14 -0.70 1.37 3.57 -1.12 -0.46 116.94 121.39 3kuo h PHE 21 Ca 0.01 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 3kuo h PHE 21 Cb 1.16 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 3kuo h PHE 21 CO 0.08 0.92 0.17 -0.07 -2.23 0.00 0.00 178.31 177.18 3kuo h LEU 22 N 1.03 1.06 -1.03 0.59 3.38 -1.14 -0.78 115.31 118.41 3kuo h LEU 22 Ca 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kuo h LEU 22 Cb 0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3kuo h LEU 22 CO -0.00 1.01 0.54 0.00 0.09 0.00 0.00 178.44 180.08 3kuo h ALA 23 N 1.12 1.28 0.45 1.53 0.00 -0.56 0.44 119.26 123.51 3kuo h ALA 23 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kuo h ALA 23 Cb 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kuo h ALA 23 CO 0.00 0.63 -0.22 0.35 0.00 0.00 0.00 179.25 180.01 3kuo h PHE 24 N 1.23 -0.56 -0.46 0.00 3.57 -0.70 -0.49 116.94 119.53 3kuo h PHE 24 Ca 0.32 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3kuo h PHE 24 Cb -0.06 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3kuo h PHE 24 CO 0.00 -0.34 0.12 -0.07 -2.23 0.00 0.00 178.31 175.79 3kuo h LEU 25 N -0.62 0.63 -0.19 0.59 3.38 -0.85 -1.11 115.31 117.14 3kuo h LEU 25 Ca -0.06 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 3kuo h LEU 25 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kuo h LEU 25 CO 0.10 0.62 -0.95 0.78 0.09 0.00 0.00 178.44 179.09 3kuo h ASN 26 N 0.66 0.35 0.14 -0.43 2.35 -0.83 -2.66 115.58 115.16 3kuo h ASN 26 Ca 0.15 -0.30 -0.16 0.00 -0.55 0.00 0.00 56.30 55.45 3kuo h ASN 26 Cb 0.24 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3kuo h ASN 26 CO -0.00 1.12 -0.58 0.50 -1.65 0.00 0.00 177.43 176.81 3kuo h LYS 27 N 0.13 0.45 -2.53 0.81 3.64 -0.86 -3.37 116.57 114.85 3kuo h LYS 27 Ca -0.06 -0.30 -0.60 0.00 -1.27 0.00 0.00 60.65 58.42 3kuo h LYS 27 Cb 1.60 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 33.05 3kuo h LYS 27 CO 0.15 0.90 -0.74 0.66 -2.27 0.00 0.00 179.45 178.16 3kuo n TYR 28 N -3.93 2.00 0.03 1.91 4.01 -0.44 -4.98 117.16 115.77 3kuo n TYR 28 Ca -0.03 -3.96 0.17 0.00 -0.16 0.00 0.00 57.90 53.92 3kuo n TYR 28 Cb 0.62 -0.39 0.66 0.00 -0.31 0.00 0.00 39.34 39.92 3kuo n TYR 28 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3kuo h PRO 29 N 4.88 0.04 -0.80 -0.72 0.11 -1.65 -0.01 132.00 133.85 3kuo h PRO 29 Ca 0.18 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.49 3kuo h PRO 29 Cb 0.78 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 3kuo h PRO 29 CO 0.65 0.03 0.56 0.38 -0.21 0.00 0.00 178.00 179.40 3kuo h ASP 30 N 0.04 0.15 0.85 -2.05 2.03 -1.94 -1.37 116.42 114.14 3kuo h ASP 30 Ca 0.22 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.48 3kuo h ASP 30 Cb 0.81 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 3kuo h ASP 30 CO -0.01 0.06 -0.24 -0.33 -1.03 0.00 0.00 179.24 177.69 3kuo h GLU 31 N 0.15 0.00 0.00 4.15 4.39 -1.31 -2.98 114.58 118.98 3kuo h GLU 31 Ca 0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 3kuo h GLU 31 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3kuo h GLU 31 CO -0.06 0.24 -0.06 -0.09 -1.16 0.00 0.00 179.01 177.88 3kuo h ARG 32 N 0.00 0.00 0.00 2.33 2.43 -1.38 -2.50 114.38 115.26 3kuo h ARG 32 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3kuo h ARG 32 Cb 0.73 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3kuo h ARG 32 CO 0.03 0.06 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.44 3kuo h ARG 33 N 0.00 0.00 0.00 0.20 2.43 -1.69 -0.34 114.38 114.98 3kuo h ARG 33 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kuo h ARG 33 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3kuo h ARG 33 CO 0.01 0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 3kuo n TYR 34 N -3.46 0.87 -3.74 2.20 4.01 -0.94 -4.14 117.16 111.96 3kuo n TYR 34 Ca -0.02 0.30 -0.28 0.00 -0.16 0.00 0.00 57.90 57.74 3kuo n TYR 34 Cb 0.13 -0.99 -0.11 0.00 -0.31 0.00 0.00 39.34 38.06 3kuo n TYR 34 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kuo n PHE 35 N -2.26 3.25 -0.04 -0.72 3.01 -0.14 -4.96 117.46 115.60 3kuo n PHE 35 Ca 0.03 -4.24 0.18 0.00 1.01 0.00 0.00 57.45 54.44 3kuo n PHE 35 Cb 0.31 -0.58 0.63 0.00 -0.01 0.00 0.00 39.48 39.83 3kuo n PHE 35 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3kuo h LYS 36 N 5.01 0.12 -0.01 -1.08 2.10 -1.74 -0.71 116.57 120.27 3kuo h LYS 36 Ca 0.17 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3kuo h LYS 36 Cb 0.73 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3kuo h LYS 36 CO 0.74 0.08 -0.05 0.09 -2.00 0.00 0.00 179.45 178.31 3kuo n ASN 37 N -4.41 0.70 -0.74 7.07 3.02 -1.26 -3.26 115.26 116.38 3kuo n ASN 37 Ca 0.11 -1.00 0.09 0.00 -0.03 0.00 0.00 54.58 53.74 3kuo n ASN 37 Cb 0.57 -0.02 0.08 0.00 -0.61 0.00 0.00 39.78 39.80 3kuo n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kuo n TYR 38 N -0.59 0.03 -1.97 3.10 4.01 -0.28 -4.97 117.16 116.49 3kuo n TYR 38 Ca 0.18 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.49 3kuo n TYR 38 Cb 0.26 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 3kuo n TYR 38 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3kuo s VAL 39 N -1.50 2.55 -0.75 -0.72 1.01 -1.20 -3.16 120.40 116.63 3kuo s VAL 39 Ca 0.22 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 3kuo s VAL 39 Cb 0.15 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3kuo s VAL 39 CO 0.23 0.08 0.05 0.61 0.00 0.00 0.00 175.10 176.07 3kuo n GLY 40 N 2.05 0.03 3.04 4.51 0.00 -1.26 -5.03 105.19 108.53 3kuo n GLY 40 Ca 0.06 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.57 1.32 0.92 1.61 -0.14 -1.19 -5.13 119.74 112.57 3kuo s LYS 41 Ca 0.03 -0.40 -0.14 0.00 -1.36 0.00 0.00 55.97 54.10 3kuo s LYS 41 Cb -0.01 -1.17 0.15 0.00 -1.68 0.00 0.00 37.83 35.11 3kuo s LYS 41 CO 0.03 0.12 1.18 -1.54 -0.76 0.00 0.00 175.35 174.39 3kuo s SER 42 N 0.28 3.45 0.14 2.83 1.04 -1.26 -4.82 113.70 115.35 3kuo s SER 42 Ca -0.06 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 56.94 3kuo s SER 42 Cb -0.11 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 3kuo s SER 42 CO 0.02 -2.57 1.76 0.44 0.98 0.00 0.00 173.24 173.87 3kuo h ASP 43 N -1.51 0.18 -0.05 7.02 3.45 -2.00 -1.31 116.42 122.19 3kuo h ASP 43 Ca -0.48 0.02 -0.13 0.00 0.43 0.00 0.00 57.03 56.87 3kuo h ASP 43 Cb 1.31 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 40.05 3kuo h ASP 43 CO 0.56 0.14 -0.39 -0.61 -1.57 0.00 0.00 179.24 177.37 3kuo h GLN 44 N 0.27 0.56 -0.34 3.56 5.75 -1.98 -1.26 115.11 121.67 3kuo h GLN 44 Ca 0.11 -0.28 0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3kuo h GLN 44 Cb 0.05 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.53 3kuo h GLN 44 CO -0.09 0.86 -0.10 0.93 -2.65 0.00 0.00 178.83 177.79 3kuo h GLU 45 N 0.47 -0.01 -0.43 1.69 4.39 -1.84 -2.57 114.58 116.27 3kuo h GLU 45 Ca 0.04 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 3kuo h GLU 45 Cb 0.89 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3kuo h GLU 45 CO 0.08 -0.01 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.72 3kuo h LEU 46 N -0.01 0.78 -0.65 1.33 3.38 -0.93 -2.66 115.31 116.55 3kuo h LEU 46 Ca 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kuo h LEU 46 Cb 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kuo h LEU 46 CO -0.36 0.92 0.00 0.29 0.09 0.00 0.00 178.44 179.38 3kuo n LYS 47 N -4.15 0.11 0.00 1.13 5.02 -0.50 -1.49 118.16 118.27 3kuo n LYS 47 Ca 0.01 0.47 0.10 0.00 -2.02 0.00 0.00 58.31 56.86 3kuo n LYS 47 Cb 0.38 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3kuo n LYS 47 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kuo n SER 48 N -1.97 1.49 -4.54 4.39 3.41 -1.01 -4.90 113.62 110.49 3kuo n SER 48 Ca 0.01 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 56.95 3kuo n SER 48 Cb 0.12 0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 3kuo n SER 48 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3kuo s MET 49 N -2.55 3.47 0.30 4.33 0.00 -0.55 -4.95 119.30 119.34 3kuo s MET 49 Ca 0.13 -0.15 0.04 0.00 0.00 0.00 0.00 55.69 55.71 3kuo s MET 49 Cb 0.16 -3.89 0.67 0.00 0.00 0.00 0.00 34.83 31.77 3kuo s MET 49 CO 0.65 -0.90 1.80 0.00 0.00 0.00 0.00 175.02 176.57 3kuo h ALA 50 N 8.71 1.62 -0.24 4.11 0.00 -1.90 -1.14 119.26 130.41 3kuo h ALA 50 Ca -0.26 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3kuo h ALA 50 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kuo h ALA 50 CO 0.88 0.06 -0.14 1.57 0.00 0.00 0.00 179.25 181.62 3kuo h LYS 51 N 0.86 0.41 -0.28 0.00 2.10 -1.93 -0.33 116.57 117.40 3kuo h LYS 51 Ca 0.55 -0.11 -0.04 0.00 -2.00 0.00 0.00 60.65 59.04 3kuo h LYS 51 Cb 0.73 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 3kuo h LYS 51 CO -0.33 0.55 0.00 0.35 -2.00 0.00 0.00 179.45 178.02 3kuo h PHE 52 N 0.38 0.54 -0.67 0.07 3.57 -1.48 -0.83 116.94 118.51 3kuo h PHE 52 Ca 0.07 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kuo h PHE 52 Cb 0.48 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3kuo h PHE 52 CO 0.01 0.64 0.43 0.78 -2.23 0.00 0.00 178.31 177.95 3kuo h GLY 53 N 0.28 0.96 0.89 2.40 0.00 -1.14 -1.07 103.07 105.39 3kuo h GLY 53 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3kuo h GLY 53 CO 0.01 0.31 0.07 -1.80 0.00 0.00 0.00 176.54 175.14 3kuo h ASP 54 N 0.87 0.43 0.33 0.19 3.58 -0.94 -1.09 116.42 119.79 3kuo h ASP 54 Ca 0.26 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3kuo h ASP 54 Cb -0.05 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 3kuo h ASP 54 CO -0.08 0.55 -0.19 -0.74 -2.88 0.00 0.00 179.24 175.90 3kuo h HIS 55 N 0.30 -0.48 -0.56 0.28 2.76 -0.95 -1.60 115.15 114.89 3kuo h HIS 55 Ca 0.09 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 3kuo h HIS 55 Cb 0.28 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 3kuo h HIS 55 CO 0.01 -0.29 0.08 1.79 -1.30 0.00 0.00 177.93 178.21 3kuo h THR 56 N -0.49 1.25 -0.54 6.26 1.35 -1.16 -0.44 112.91 119.14 3kuo h THR 56 Ca -0.04 -0.96 -0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3kuo h THR 56 Cb 0.39 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 3kuo h THR 56 CO 0.05 0.35 0.32 -0.33 -0.25 0.00 0.00 175.52 175.66 3kuo h GLU 57 N 0.86 0.74 -0.36 4.72 5.08 -1.11 -0.68 114.58 123.83 3kuo h GLU 57 Ca 0.17 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 3kuo h GLU 57 Cb 0.40 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3kuo h GLU 57 CO 0.01 0.54 -0.35 0.87 -1.00 0.00 0.00 179.01 179.08 3kuo h LYS 58 N 0.73 0.83 0.03 2.33 1.57 -0.79 -0.29 116.57 120.99 3kuo h LYS 58 Ca 0.19 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3kuo h LYS 58 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kuo h LYS 58 CO -0.04 1.05 -0.02 0.28 -0.57 0.00 0.00 179.45 180.15 3kuo h VAL 59 N 0.69 1.01 0.00 0.50 2.07 -0.94 -2.22 116.25 117.36 3kuo h VAL 59 Ca 0.07 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 3kuo h VAL 59 Cb 0.91 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3kuo h VAL 59 CO 0.08 0.04 -0.47 -0.26 0.02 0.00 0.00 177.57 176.98 3kuo h PHE 60 N -0.11 0.00 -0.13 1.57 0.04 -1.08 0.37 116.94 117.60 3kuo h PHE 60 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3kuo h PHE 60 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3kuo h PHE 60 CO -0.06 0.47 0.07 -0.97 -0.60 0.00 0.00 178.31 177.23 3kuo h ASN 61 N 0.00 0.16 -0.58 2.17 -1.24 -1.01 0.03 115.58 115.12 3kuo h ASN 61 Ca -0.00 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 56.90 3kuo h ASN 61 Cb 1.21 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 40.19 3kuo h ASN 61 CO 0.06 0.19 0.23 0.25 -1.29 0.00 0.00 177.43 176.87 3kuo h LEU 62 N 0.11 0.80 -0.63 0.34 5.85 -1.11 -1.10 115.31 119.57 3kuo h LEU 62 Ca 0.04 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3kuo h LEU 62 Cb 0.06 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3kuo h LEU 62 CO -0.01 0.75 0.35 -0.03 -0.34 0.00 0.00 178.44 179.16 3kuo h MET 63 N 0.80 0.65 -0.26 1.25 4.05 -0.71 -0.76 114.93 119.94 3kuo h MET 63 Ca 0.19 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.47 3kuo h MET 63 Cb 0.20 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3kuo h MET 63 CO -0.02 0.43 -0.27 0.52 0.23 0.00 0.00 176.91 177.80 3kuo h MET 64 N 0.66 0.52 -0.56 0.39 2.86 -0.72 0.70 114.93 118.79 3kuo h MET 64 Ca 0.28 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3kuo h MET 64 Cb 0.15 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3kuo h MET 64 CO -0.16 0.75 0.04 0.93 1.06 0.00 0.00 176.91 179.52 3kuo h GLU 65 N 0.46 0.96 -0.52 1.72 5.08 -0.72 0.18 114.58 121.74 3kuo h GLU 65 Ca 0.06 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3kuo h GLU 65 Cb 0.71 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3kuo h GLU 65 CO 0.05 0.95 0.15 0.28 -1.00 0.00 0.00 179.01 179.44 3kuo h VAL 66 N 0.85 1.23 -0.69 3.13 2.07 -0.88 -1.30 116.25 120.67 3kuo h VAL 66 Ca 0.16 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3kuo h VAL 66 Cb 0.48 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3kuo h VAL 66 CO 0.02 0.29 0.39 0.00 0.02 0.00 0.00 177.57 178.29 3kuo h ALA 67 N 1.02 0.88 -0.01 1.67 0.00 -0.68 -2.05 119.26 120.09 3kuo h ALA 67 Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kuo h ALA 67 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kuo h ALA 67 CO -0.00 0.38 -0.51 0.22 0.00 0.00 0.00 179.25 179.33 3kuo h ASP 68 N 0.94 0.02 1.24 0.00 3.58 -0.40 -2.71 116.42 119.09 3kuo h ASP 68 Ca 0.24 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3kuo h ASP 68 Cb 0.02 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3kuo h ASP 68 CO -0.04 0.54 -0.09 0.54 -2.88 0.00 0.00 179.24 177.30 3kuo n ARG 69 N -3.93 0.19 -1.44 0.28 1.74 -0.51 -4.87 116.66 108.12 3kuo n ARG 69 Ca -0.01 0.14 -0.33 0.00 -0.77 0.00 0.00 57.85 56.87 3kuo n ARG 69 Cb 0.53 -1.70 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.08 2.22 -0.13 7.54 0.00 -0.79 -4.66 121.76 122.86 3kuo s ALA 70 Ca 0.11 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3kuo s ALA 70 Cb 0.14 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 3kuo s ALA 70 CO 0.60 -1.70 -0.17 0.99 0.00 0.00 0.00 175.76 175.47 3kuo s THR 71 N -2.44 2.56 -1.63 0.00 2.01 -0.70 -4.71 115.64 110.74 3kuo s THR 71 Ca 0.67 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 3kuo s THR 71 Cb -0.22 -2.05 0.12 0.00 0.01 0.00 0.00 72.50 70.36 3kuo s THR 71 CO 0.48 0.53 0.75 0.47 -0.69 0.00 0.00 174.62 176.16 3kuo n ASP 72 N 3.78 -3.02 -1.38 3.53 8.00 -1.26 -0.52 116.55 125.67 3kuo n ASP 72 Ca -0.19 -0.98 -0.16 0.00 0.71 0.00 0.00 54.79 54.17 3kuo n ASP 72 Cb 0.52 -2.98 -0.05 0.00 -0.02 0.00 0.00 41.12 38.59 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 -2.74 -4.91 -4.37 -2.24 7.64 -1.26 -4.99 113.62 100.75 3kuo n SER 73 Ca 0.00 0.30 -0.38 0.00 1.01 0.00 0.00 58.87 59.81 3kuo n SER 73 Cb 0.53 -3.88 -0.12 0.00 -1.01 0.00 0.00 64.21 59.73 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 -2.65 4.18 0.59 0.44 1.01 0.32 -4.16 120.40 120.13 3kuo s VAL 74 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3kuo s VAL 74 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3kuo s VAL 74 CO 0.00 0.05 1.03 -2.16 0.00 0.00 0.00 175.10 174.02 3kuo s PRO 75 N 1.53 3.47 0.40 2.72 0.04 -1.26 -1.72 135.00 140.18 3kuo s PRO 75 Ca 0.03 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 61.85 3kuo s PRO 75 Cb -0.17 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3kuo s PRO 75 CO 0.04 -0.68 1.35 -0.51 0.04 0.00 0.00 177.00 177.24 3kuo s LEU 76 N -4.62 4.25 0.32 -3.56 1.43 -1.26 -4.93 118.68 110.32 3kuo s LEU 76 Ca 0.60 2.77 0.05 0.00 -1.03 0.00 0.00 54.13 56.52 3kuo s LEU 76 Cb -0.13 -3.83 0.67 0.00 0.03 0.00 0.00 46.19 42.93 3kuo s LEU 76 CO 0.40 -0.85 1.88 0.00 0.23 0.00 0.00 176.35 178.01 3kuo h ALA 77 N 2.79 1.66 -0.25 4.21 0.00 -1.97 -2.11 119.26 123.59 3kuo h ALA 77 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 3kuo h ALA 77 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kuo h ALA 77 CO 0.63 0.13 -0.28 0.66 0.00 0.00 0.00 179.25 180.39 3kuo h SER 78 N 0.86 0.52 -0.36 0.00 4.64 -1.99 -0.86 113.55 116.35 3kuo h SER 78 Ca 0.43 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 3kuo h SER 78 Cb 0.49 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3kuo h SER 78 CO -0.20 0.78 -0.32 0.44 -0.87 0.00 0.00 176.83 176.67 3kuo h ASP 79 N 0.44 0.90 -0.71 4.97 3.45 -1.79 -0.23 116.42 123.45 3kuo h ASP 79 Ca 0.06 -0.46 0.00 0.00 0.43 0.00 0.00 57.03 57.07 3kuo h ASP 79 Cb 0.72 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 3kuo h ASP 79 CO 0.06 1.17 0.45 0.00 -1.57 0.00 0.00 179.24 179.35 3kuo h ALA 80 N 0.76 0.91 -0.48 3.45 0.00 -1.26 -2.17 119.26 120.46 3kuo h ALA 80 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kuo h ALA 80 Cb 0.90 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3kuo h ALA 80 CO 0.08 0.35 0.30 -0.97 0.00 0.00 0.00 179.25 179.01 3kuo h ASN 81 N 0.97 0.49 -0.51 0.00 -0.00 -0.93 -1.82 115.58 113.78 3kuo h ASN 81 Ca 0.26 -0.00 0.08 0.00 -0.00 0.00 0.00 56.30 56.64 3kuo h ASN 81 Cb -0.07 -0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 38.08 3kuo h ASN 81 CO -0.05 0.35 0.13 0.74 -0.00 0.00 0.00 177.43 178.60 3kuo h THR 82 N 0.59 0.75 -0.42 -3.57 2.02 -0.73 -0.61 112.91 110.95 3kuo h THR 82 Ca 0.19 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 3kuo h THR 82 Cb -0.01 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3kuo h THR 82 CO -0.07 0.05 -0.06 -0.07 0.37 0.00 0.00 175.52 175.74 3kuo h LEU 83 N 0.28 0.68 -0.24 2.58 3.38 -0.92 -1.91 115.31 119.17 3kuo h LEU 83 Ca 0.26 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 3kuo h LEU 83 Cb 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kuo h LEU 83 CO -0.31 0.79 -0.57 0.58 0.09 0.00 0.00 178.44 179.02 3kuo h VAL 84 N 0.65 1.29 0.00 1.22 2.07 -0.81 -3.31 116.25 117.36 3kuo h VAL 84 Ca 0.12 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3kuo h VAL 84 Cb 0.49 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3kuo h VAL 84 CO 0.03 0.57 -0.30 0.00 0.02 0.00 0.00 177.57 177.88 3kuo n GLN 85 N -4.04 0.13 -1.68 1.57 1.13 -0.29 -4.63 117.38 109.57 3kuo n GLN 85 Ca -0.05 0.07 -0.46 0.00 -1.94 0.00 0.00 57.00 54.61 3kuo n GLN 85 Cb 0.64 -1.61 -0.04 0.00 0.11 0.00 0.00 30.24 29.34 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 -1.82 2.24 -0.30 -1.09 2.81 -0.73 -4.87 117.12 113.36 3kuo n MET 86 Ca 0.05 0.81 0.12 0.00 -1.81 0.00 0.00 57.70 56.87 3kuo n MET 86 Cb 0.38 -2.62 0.35 0.00 -0.71 0.00 0.00 33.22 30.62 3kuo n MET 86 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3kuo h LYS 87 N 7.18 0.73 0.00 0.03 1.57 -1.92 -0.45 116.57 123.72 3kuo h LYS 87 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3kuo h LYS 87 Cb 1.25 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3kuo h LYS 87 CO 0.91 0.48 0.00 1.96 -0.57 0.00 0.00 179.45 182.24 3kuo h GLN 88 N 0.75 0.00 -0.41 3.15 7.50 -1.96 -2.64 115.11 121.50 3kuo h GLN 88 Ca 0.48 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.63 3kuo h GLN 88 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.26 3kuo h GLN 88 CO -0.25 0.00 0.00 0.72 -1.50 0.00 0.00 178.83 177.80 3kuo n HIS 89 N -2.50 0.74 -0.01 2.96 8.25 -0.18 -4.71 115.22 119.76 3kuo n HIS 89 Ca 0.00 -0.58 0.10 0.00 -0.26 0.00 0.00 57.72 56.98 3kuo n HIS 89 Cb 0.17 -0.10 0.51 0.00 1.12 0.00 0.00 29.99 31.69 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 2.50 0.33 -0.13 0.41 4.64 -1.43 -2.48 113.55 117.39 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 0.98 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3kuo h SER 90 CO 0.07 0.21 0.00 -0.24 -0.87 0.00 0.00 176.83 176.00 3kuo n SER 91 N -4.47 2.61 -4.88 4.97 2.88 -1.26 -4.99 113.62 108.49 3kuo n SER 91 Ca 0.06 -1.85 -0.30 0.00 -1.33 0.00 0.00 58.87 55.45 3kuo n SER 91 Cb 0.26 -0.07 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 3kuo n SER 91 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kuo s LEU 92 N -1.82 3.58 0.36 2.46 1.43 -0.93 -5.10 118.68 118.66 3kuo s LEU 92 Ca 0.33 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 3kuo s LEU 92 Cb 0.21 -4.19 -0.07 0.00 0.03 0.00 0.00 46.19 42.16 3kuo s LEU 92 CO 0.31 -0.60 -0.03 0.42 0.23 0.00 0.00 176.35 176.68 3kuo s THR 93 N -2.72 1.92 0.50 5.49 -4.23 -1.26 -4.43 115.64 110.91 3kuo s THR 93 Ca 0.53 -2.09 0.27 0.00 -1.18 0.00 0.00 61.69 59.22 3kuo s THR 93 Cb -0.10 -2.78 0.31 0.00 1.34 0.00 0.00 72.50 71.27 3kuo s THR 93 CO 0.41 -0.11 2.15 0.71 -0.54 0.00 0.00 174.62 177.24 3kuo h THR 94 N 1.97 0.60 -0.35 3.99 1.35 -1.85 -2.03 112.91 116.59 3kuo h THR 94 Ca -0.42 -0.28 0.01 0.00 -0.55 0.00 0.00 66.41 65.17 3kuo h THR 94 Cb 1.24 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 3kuo h THR 94 CO 0.74 0.07 0.24 1.23 -0.25 0.00 0.00 175.52 177.54 3kuo h GLY 95 N 0.41 0.46 1.00 5.82 0.00 -1.96 0.44 103.07 109.24 3kuo h GLY 95 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kuo h GLY 95 CO 0.01 0.16 0.42 3.43 0.00 0.00 0.00 176.54 180.56 3kuo h ASN 96 N 0.43 0.79 0.12 0.19 4.21 -1.78 -1.48 115.58 118.06 3kuo h ASN 96 Ca 0.14 -0.04 -0.20 0.00 1.21 0.00 0.00 56.30 57.40 3kuo h ASN 96 Cb 0.02 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.02 3kuo h ASN 96 CO -0.03 0.60 -0.77 -0.26 -1.29 0.00 0.00 177.43 175.68 3kuo h PHE 97 N 0.91 0.75 -0.46 1.19 0.04 -1.40 -2.55 116.94 115.43 3kuo h PHE 97 Ca 0.24 -0.34 0.07 0.00 2.80 0.00 0.00 57.97 60.75 3kuo h PHE 97 Cb -0.07 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 37.91 3kuo h PHE 97 CO -0.02 1.13 0.12 0.93 -0.60 0.00 0.00 178.31 179.86 3kuo h GLU 98 N 0.37 0.26 -0.55 1.51 5.08 -0.79 -1.51 114.58 118.95 3kuo h GLU 98 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kuo h GLU 98 Cb 1.37 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3kuo h GLU 98 CO 0.14 0.17 0.35 0.87 -1.00 0.00 0.00 179.01 179.55 3kuo h LYS 99 N 0.26 0.73 -0.58 2.33 1.57 -1.21 -0.09 116.57 119.59 3kuo h LYS 99 Ca 0.22 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3kuo h LYS 99 Cb 0.27 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3kuo h LYS 99 CO -0.27 0.50 0.37 1.25 -0.57 0.00 0.00 179.45 180.72 3kuo h LEU 100 N 0.74 0.61 -0.66 2.94 5.85 -0.99 -1.25 115.31 122.56 3kuo h LEU 100 Ca 0.20 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3kuo h LEU 100 Cb -0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3kuo h LEU 100 CO -0.04 0.44 -0.50 -0.26 -0.34 0.00 0.00 178.44 177.73 3kuo h PHE 101 N 0.74 0.53 -0.39 1.25 0.04 -0.94 -0.31 116.94 117.85 3kuo h PHE 101 Ca 0.22 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3kuo h PHE 101 Cb -0.03 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3kuo h PHE 101 CO -0.05 0.85 0.21 0.28 -0.60 0.00 0.00 178.31 179.01 3kuo h VAL 102 N 0.34 1.15 -0.71 -0.55 2.07 -0.82 -0.55 116.25 117.18 3kuo h VAL 102 Ca 0.01 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3kuo h VAL 102 Cb 1.00 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3kuo h VAL 102 CO 0.09 0.16 0.19 0.00 0.02 0.00 0.00 177.57 178.03 3kuo h ALA 103 N 1.07 0.93 -0.40 1.67 0.00 -1.03 -1.49 119.26 120.02 3kuo h ALA 103 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kuo h ALA 103 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kuo h ALA 103 CO -0.02 0.64 0.18 1.25 0.00 0.00 0.00 179.25 181.30 3kuo h LEU 104 N 1.06 0.54 -0.56 0.00 6.46 -0.84 -0.17 115.31 121.79 3kuo h LEU 104 Ca 0.23 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 3kuo h LEU 104 Cb 0.35 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 3kuo h LEU 104 CO -0.00 0.54 0.11 0.58 -0.62 0.00 0.00 178.44 179.05 3kuo h VAL 105 N 0.50 1.25 -0.67 1.05 2.07 -1.00 -0.96 116.25 118.49 3kuo h VAL 105 Ca 0.14 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kuo h VAL 105 Cb 0.16 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3kuo h VAL 105 CO -0.01 0.34 0.42 -0.08 0.02 0.00 0.00 177.57 178.26 3kuo h GLU 106 N 0.81 0.90 -0.31 1.57 4.81 -1.08 -0.61 114.58 120.67 3kuo h GLU 106 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kuo h GLU 106 Cb 0.38 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kuo h GLU 106 CO 0.01 0.62 0.20 -0.92 -0.73 0.00 0.00 179.01 178.19 3kuo h TYR 107 N 0.91 0.39 -0.78 0.92 3.20 -0.76 -1.68 116.97 119.18 3kuo h TYR 107 Ca 0.24 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3kuo h TYR 107 Cb -0.06 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3kuo h TYR 107 CO -0.02 0.25 0.37 0.52 -1.64 0.00 0.00 178.16 177.64 3kuo h MET 108 N 0.42 1.12 -0.23 1.82 2.86 -0.77 -1.75 114.93 118.40 3kuo h MET 108 Ca 0.11 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3kuo h MET 108 Cb -0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 3kuo h MET 108 CO -0.02 0.87 -0.22 0.00 1.06 0.00 0.00 176.91 178.59 3kuo h ARG 109 N 1.10 0.41 0.00 1.72 3.08 -0.93 -2.72 114.38 117.04 3kuo h ARG 109 Ca 0.27 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3kuo h ARG 109 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kuo h ARG 109 CO -0.03 0.62 -0.05 0.00 -1.07 0.00 0.00 179.97 179.44 3kuo h ALA 110 N 1.39 0.97 -2.40 0.04 0.00 -0.92 -3.47 119.26 114.87 3kuo h ALA 110 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.48 3kuo h ALA 110 Cb 0.60 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.44 3kuo h ALA 110 CO 0.04 0.00 0.39 -1.54 0.00 0.00 0.00 179.25 178.15 3kuo s SER 111 N -4.82 5.98 0.47 0.00 1.04 -0.69 -4.95 113.70 110.74 3kuo s SER 111 Ca 0.10 1.96 0.28 0.00 0.48 0.00 0.00 55.95 58.77 3kuo s SER 111 Cb 0.11 -2.56 0.88 0.00 0.10 0.00 0.00 66.02 64.56 3kuo s SER 111 CO 0.62 -1.03 1.80 1.23 0.98 0.00 0.00 173.24 176.84 3kuo h GLY 112 N 1.10 0.00 -4.14 7.32 0.00 -1.91 -3.44 103.07 102.00 3kuo h GLY 112 Ca -0.49 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.32 3kuo h GLY 112 CO 0.58 0.00 0.31 1.62 0.00 0.00 0.00 176.54 179.05 3kuo s GLN 113 N -3.43 4.67 0.27 4.80 2.00 -1.26 -5.03 119.66 121.69 3kuo s GLN 113 Ca 0.04 1.36 -0.29 0.00 -2.00 0.00 0.00 55.36 54.47 3kuo s GLN 113 Cb 0.07 -3.35 -0.10 0.00 0.80 0.00 0.00 33.01 30.43 3kuo s GLN 113 CO 0.59 0.30 1.33 -1.54 -0.50 0.00 0.00 175.29 175.47 3kuo s SER 114 N -0.27 6.80 0.02 6.67 1.04 -1.26 -4.97 113.70 121.73 3kuo s SER 114 Ca 0.44 2.59 -0.04 0.00 0.48 0.00 0.00 55.95 59.42 3kuo s SER 114 Cb -0.23 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.24 3kuo s SER 114 CO 0.29 -0.56 0.05 -0.36 0.98 0.00 0.00 173.24 173.64 3kuo s PHE 115 N -0.54 0.19 -1.30 5.02 0.08 -1.26 -4.96 117.98 115.21 3kuo s PHE 115 Ca 0.53 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 57.05 3kuo s PHE 115 Cb -0.39 -0.14 0.14 0.00 -0.57 0.00 0.00 43.02 42.06 3kuo s PHE 115 CO 0.46 -0.27 1.87 -3.47 -0.10 0.00 0.00 175.22 173.72 3kuo n ASP 116 N 1.31 4.88 -0.37 1.36 -0.08 -1.26 -4.82 116.55 117.57 3kuo n ASP 116 Ca -0.22 -3.04 0.01 0.00 -1.51 0.00 0.00 54.79 50.03 3kuo n ASP 116 Cb 0.56 -1.53 0.15 0.00 2.34 0.00 0.00 41.12 42.63 3kuo n ASP 116 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3kuo h SER 117 N 6.06 1.09 -0.74 1.67 0.02 -1.94 -1.44 113.55 118.27 3kuo h SER 117 Ca 0.42 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 3kuo h SER 117 Cb 0.67 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3kuo h SER 117 CO 1.61 0.74 0.49 0.06 -1.14 0.00 0.00 176.83 178.60 3kuo h GLN 118 N 1.26 0.93 -0.25 3.45 3.07 -1.96 -1.27 115.11 120.34 3kuo h GLN 118 Ca 0.41 -0.06 -0.12 0.00 0.09 0.00 0.00 58.65 58.97 3kuo h GLN 118 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.36 3kuo h GLN 118 CO -0.13 0.62 -0.33 1.03 0.09 0.00 0.00 178.83 180.10 3kuo h SER 119 N 0.96 0.54 0.10 0.06 0.87 -1.68 -1.54 113.55 112.86 3kuo h SER 119 Ca 0.28 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 3kuo h SER 119 Cb -0.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3kuo h SER 119 CO -0.07 0.84 -0.48 -0.50 -0.53 0.00 0.00 176.83 176.09 3kuo h TRP 120 N 0.45 0.54 -0.09 2.24 4.06 -1.13 0.11 115.95 122.14 3kuo h TRP 120 Ca 0.05 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.83 3kuo h TRP 120 Cb 0.79 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.84 3kuo h TRP 120 CO 0.03 0.84 0.06 0.22 -3.56 0.00 0.00 178.44 176.03 3kuo h ASP 121 N 0.36 0.10 -0.34 -3.49 3.58 -1.02 0.15 116.42 115.75 3kuo h ASP 121 Ca 0.02 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 3kuo h ASP 121 Cb 0.97 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 3kuo h ASP 121 CO 0.09 0.09 0.20 -0.09 -2.88 0.00 0.00 179.24 176.65 3kuo h ARG 122 N 0.10 0.47 -0.47 0.28 2.43 -1.14 -0.90 114.38 115.15 3kuo h ARG 122 Ca 0.03 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3kuo h ARG 122 Cb 0.01 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 3kuo h ARG 122 CO -0.01 0.36 0.15 0.35 -1.51 0.00 0.00 179.97 179.31 3kuo h PHE 123 N 0.44 0.26 -0.52 2.20 3.57 -0.63 0.58 116.94 122.84 3kuo h PHE 123 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3kuo h PHE 123 Cb 0.02 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3kuo h PHE 123 CO -0.04 0.07 0.32 0.78 -2.23 0.00 0.00 178.31 177.22 3kuo h GLY 124 N 0.31 0.74 1.00 2.40 0.00 -0.63 0.20 103.07 107.09 3kuo h GLY 124 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3kuo h GLY 124 CO -0.25 0.22 0.26 1.70 0.00 0.00 0.00 176.54 178.47 3kuo h LYS 125 N 0.65 0.52 -0.26 4.80 3.64 -0.72 0.19 116.57 125.38 3kuo h LYS 125 Ca 0.20 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3kuo h LYS 125 Cb -0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3kuo h LYS 125 CO -0.08 0.35 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.28 3kuo h ASN 126 N 0.53 0.51 -0.30 4.20 2.35 -0.57 -1.81 115.58 120.49 3kuo h ASN 126 Ca 0.14 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3kuo h ASN 126 Cb -0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3kuo h ASN 126 CO -0.03 0.76 -0.17 0.25 -1.65 0.00 0.00 177.43 176.59 3kuo h LEU 127 N 0.45 0.67 -0.69 1.61 5.85 -0.30 -1.57 115.31 121.33 3kuo h LEU 127 Ca 0.06 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3kuo h LEU 127 Cb 0.68 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3kuo h LEU 127 CO 0.05 0.94 0.40 0.58 -0.34 0.00 0.00 178.44 180.08 3kuo h VAL 128 N 0.39 1.01 -0.67 1.05 2.07 -0.78 0.22 116.25 119.54 3kuo h VAL 128 Ca 0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kuo h VAL 128 Cb 0.71 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3kuo h VAL 128 CO 0.05 0.14 0.39 -1.28 0.02 0.00 0.00 177.57 176.89 3kuo h SER 129 N 0.75 0.82 0.13 0.57 0.87 -1.23 -0.59 113.55 114.88 3kuo h SER 129 Ca 0.30 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 3kuo h SER 129 Cb 0.14 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3kuo h SER 129 CO -0.16 0.65 -0.45 0.00 -0.53 0.00 0.00 176.83 176.35 3kuo h ALA 130 N 1.20 0.93 -0.24 6.23 0.00 -0.56 -2.21 119.26 124.61 3kuo h ALA 130 Ca 0.24 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kuo h ALA 130 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kuo h ALA 130 CO -0.04 0.64 0.05 -0.07 0.00 0.00 0.00 179.25 179.82 3kuo h LEU 131 N 0.32 0.38 -0.32 0.00 3.38 -0.32 -2.41 115.31 116.35 3kuo h LEU 131 Ca 0.02 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3kuo h LEU 131 Cb 0.92 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3kuo h LEU 131 CO 0.08 0.54 0.06 0.28 0.09 0.00 0.00 178.44 179.49 3kuo h SER 132 N 0.21 0.01 0.32 -0.43 0.02 -0.97 -2.04 113.55 110.68 3kuo h SER 132 Ca 0.07 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3kuo h SER 132 Cb 0.31 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3kuo h SER 132 CO 0.00 0.04 -0.28 0.77 -1.14 0.00 0.00 176.83 176.23 3kuo h SER 133 N 0.17 0.00 -0.04 3.07 4.64 -1.40 -1.81 113.55 118.19 3kuo h SER 133 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3kuo h SER 133 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kuo h SER 133 CO -0.20 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3kuo n ALA 134 N -2.46 2.59 0.00 5.18 0.00 -0.81 -4.90 120.51 120.11 3kuo n ALA 134 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3kuo n ALA 134 Cb 0.33 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.86 0.86 3.73 0.00 0.00 -0.68 -4.96 105.19 105.00 3kuo n GLY 135 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.38 4.41 0.00 1.61 0.00 -0.95 -5.01 119.30 118.97 3kuo s MET 136 Ca 0.00 1.97 0.26 0.00 0.00 0.00 0.00 55.69 57.92 3kuo s MET 136 Cb 0.00 -3.24 1.55 0.00 0.00 0.00 0.00 34.83 33.14 3kuo s MET 136 CO 0.00 -0.25 1.90 1.63 0.00 0.00 0.00 175.02 178.30