#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdi s LYS 8 N 0.00 0.88 0.00 1.45 3.01 -1.26 -4.92 119.74 118.91 3kdi s LYS 8 Ca 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 55.97 53.63 3kdi s LYS 8 Cb 0.00 0.26 0.00 0.00 -1.01 0.00 0.00 37.83 37.08 3kdi s LYS 8 CO 0.00 -0.25 0.00 0.41 0.51 0.00 0.00 175.35 176.02 3kdi n GLY 9 N -0.06 0.34 0.52 -3.33 0.00 -1.26 -4.91 105.19 96.49 3kdi n GLY 9 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 3kdi n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdi n LEU 10 N 0.00 0.00 -5.01 0.99 4.77 -1.26 -4.99 117.00 111.49 3kdi n LEU 10 Ca 0.00 -0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 3kdi n LEU 10 Cb 0.00 0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3kdi n LEU 10 CO 0.00 -0.07 0.25 0.42 -1.33 0.00 0.00 177.39 176.65 3kdi s THR 11 N -1.67 2.68 0.10 -5.08 -4.23 -1.26 -4.93 115.64 101.26 3kdi s THR 11 Ca 0.02 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 3kdi s THR 11 Cb 0.00 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 3kdi s THR 11 CO 0.02 0.00 1.50 0.44 -0.54 0.00 0.00 174.62 176.04 3kdi h ASP 12 N 0.40 0.63 -0.45 3.99 3.45 -2.02 0.91 116.42 123.33 3kdi h ASP 12 Ca -0.37 -0.37 -0.02 0.00 0.43 0.00 0.00 57.03 56.71 3kdi h ASP 12 Cb 1.28 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 3kdi h ASP 12 CO 0.44 0.85 0.21 -0.08 -1.57 0.00 0.00 179.24 179.10 3kdi h GLU 13 N 0.40 0.64 0.02 3.56 4.57 -1.99 -1.30 114.58 120.49 3kdi h GLU 13 Ca 0.08 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3kdi h GLU 13 Cb 0.57 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3kdi h GLU 13 CO 0.03 0.55 -0.10 0.93 -1.18 0.00 0.00 179.01 179.24 3kdi h GLU 14 N 0.58 -0.18 -0.78 1.92 5.08 -1.91 -1.46 114.58 117.82 3kdi h GLU 14 Ca 0.15 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3kdi h GLU 14 Cb 0.12 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3kdi h GLU 14 CO -0.02 -0.12 0.36 1.96 -1.00 0.00 0.00 179.01 180.19 3kdi h GLN 15 N -0.19 1.14 -0.32 2.33 4.20 -0.69 -0.26 115.11 121.33 3kdi h GLN 15 Ca 0.03 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 3kdi h GLN 15 Cb 0.23 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3kdi h GLN 15 CO -0.09 0.90 -0.23 1.57 -0.67 0.00 0.00 178.83 180.30 3kdi h LYS 16 N 1.12 0.72 -0.18 1.46 2.10 -1.17 -0.29 116.57 120.33 3kdi h LYS 16 Ca 0.27 -0.35 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 3kdi h LYS 16 Cb 0.15 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 3kdi h LYS 16 CO -0.03 0.96 -0.04 1.15 -2.00 0.00 0.00 179.45 179.49 3kdi h THR 17 N 0.48 1.14 0.00 0.07 2.02 -1.01 -3.07 112.91 112.55 3kdi h THR 17 Ca 0.06 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3kdi h THR 17 Cb 0.79 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3kdi h THR 17 CO 0.06 0.19 -0.88 -0.07 0.37 0.00 0.00 175.52 175.19 3kdi h LEU 18 N 0.26 0.00 -0.57 2.58 4.07 -0.79 -3.38 115.31 117.48 3kdi h LEU 18 Ca 0.06 -0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.07 3kdi h LEU 18 Cb 0.25 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.91 3kdi h LEU 18 CO 0.01 0.03 0.14 -0.08 -1.08 0.00 0.00 178.44 177.45 3kdi h GLU 19 N 0.00 0.27 -0.19 1.13 4.81 -0.95 -1.37 114.58 118.28 3kdi h GLU 19 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3kdi h GLU 19 Cb 0.94 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 3kdi h GLU 19 CO 0.00 0.18 -0.13 -1.35 -0.73 0.00 0.00 179.01 176.98 3kdi h PRO 20 N 0.28 -0.12 0.00 0.92 0.11 -1.76 -1.41 132.00 130.02 3kdi h PRO 20 Ca 0.30 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.44 3kdi h PRO 20 Cb 0.42 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 3kdi h PRO 20 CO -0.37 -0.08 -0.22 0.28 -0.21 0.00 0.00 178.00 177.40 3kdi h VAL 21 N -0.12 0.48 -0.33 3.15 2.07 -1.60 -1.29 116.25 118.61 3kdi h VAL 21 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 3kdi h VAL 21 Cb 0.29 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3kdi h VAL 21 CO -0.27 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.50 3kdi h ILE 22 N -0.35 0.41 -0.59 4.57 2.04 -1.12 -0.15 117.51 122.31 3kdi h ILE 22 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.01 3kdi h ILE 22 Cb 0.43 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3kdi h ILE 22 CO -0.20 0.00 0.21 0.11 0.00 0.00 0.00 178.15 178.27 3kdi h LYS 23 N -0.18 0.38 -0.03 2.37 1.79 -0.85 -0.39 116.57 119.66 3kdi h LYS 23 Ca 0.17 -0.02 -0.23 0.00 -2.18 0.00 0.00 60.65 58.39 3kdi h LYS 23 Cb 0.44 -0.09 0.02 0.00 -1.58 0.00 0.00 32.23 31.02 3kdi h LYS 23 CO -0.44 0.25 -0.86 1.15 -1.08 0.00 0.00 179.45 178.48 3kdi h THR 24 N 0.39 1.32 0.00 -0.16 2.02 -0.51 -3.37 112.91 112.60 3kdi h THR 24 Ca 0.30 -2.13 -0.09 0.00 0.77 0.00 0.00 66.41 65.26 3kdi h THR 24 Cb 0.36 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 3kdi h THR 24 CO -0.30 0.65 -1.34 -1.22 0.37 0.00 0.00 175.52 173.68 3kdi n TYR 25 N -3.98 0.00 1.06 3.16 4.01 -0.14 -4.74 117.16 116.54 3kdi n TYR 25 Ca -0.10 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.76 3kdi n TYR 25 Cb 0.79 -0.24 0.13 0.00 -0.31 0.00 0.00 39.34 39.71 3kdi n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3kdi n HIS 26 N -2.46 0.00 -1.71 -0.72 8.25 -0.28 -4.92 115.22 113.37 3kdi n HIS 26 Ca -0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.94 3kdi n HIS 26 Cb 0.63 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 3kdi n HIS 26 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kdi n GLN 27 N 0.77 2.61 -1.86 -0.41 -0.06 -0.49 -4.92 117.38 113.02 3kdi n GLN 27 Ca 0.13 0.94 -0.30 0.00 -2.00 0.00 0.00 57.00 55.76 3kdi n GLN 27 Cb 0.53 -2.74 0.04 0.00 -4.06 0.00 0.00 30.24 24.00 3kdi n GLN 27 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 3kdi s PHE 28 N 0.73 3.41 -0.22 3.69 0.40 -1.26 -5.07 117.98 119.65 3kdi s PHE 28 Ca 0.72 1.14 0.02 0.00 -0.60 0.00 0.00 56.93 58.21 3kdi s PHE 28 Cb -0.54 -2.95 0.04 0.00 0.51 0.00 0.00 43.02 40.08 3kdi s PHE 28 CO 0.39 -1.04 -0.14 -2.00 0.70 0.00 0.00 175.22 173.13 3kdi s GLU 29 N -5.29 2.42 0.02 0.44 -6.30 -1.26 -5.09 118.70 103.64 3kdi s GLU 29 Ca 0.57 -1.10 -0.35 0.00 -2.50 0.00 0.00 54.97 51.60 3kdi s GLU 29 Cb -0.11 -2.71 -0.13 0.00 0.00 0.00 0.00 34.13 31.18 3kdi s GLU 29 CO 0.53 -0.44 1.71 -2.30 0.02 0.00 0.00 175.26 174.78 3kdi n PRO 30 N 4.54 2.04 -3.65 4.30 -0.02 -1.26 -4.98 135.00 135.96 3kdi n PRO 30 Ca -0.16 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 3kdi n PRO 30 Cb 0.45 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 3kdi n PRO 30 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kdi s ASP 31 N 2.49 -0.87 0.34 2.55 -1.08 -1.26 -5.03 116.67 113.81 3kdi s ASP 31 Ca 0.87 1.40 0.04 0.00 -0.52 0.00 0.00 52.55 54.34 3kdi s ASP 31 Cb -0.73 1.28 0.62 0.00 -1.46 0.00 0.00 42.92 42.63 3kdi s ASP 31 CO 0.46 -0.23 1.89 -0.65 0.52 0.00 0.00 175.17 177.17 3kdi h PRO 32 N 7.03 0.54 -0.01 4.34 0.11 -2.04 -3.01 132.00 138.96 3kdi h PRO 32 Ca -0.31 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kdi h PRO 32 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kdi h PRO 32 CO 0.19 0.54 -0.10 0.25 -0.21 0.00 0.00 178.00 178.66 3kdi n THR 33 N -4.30 0.00 -4.39 -1.15 -2.24 -1.26 -4.91 114.28 96.04 3kdi n THR 33 Ca 0.02 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 3kdi n THR 33 Cb 0.22 0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 3kdi n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdi s THR 34 N -2.22 2.40 -0.11 4.28 -4.23 -1.14 -2.13 115.64 112.49 3kdi s THR 34 Ca 0.33 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 3kdi s THR 34 Cb 0.20 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3kdi s THR 34 CO 0.41 -0.13 -0.21 0.00 -0.54 0.00 0.00 174.62 174.16 3kdi s THR 36 N 0.62 1.89 -0.00 0.00 -4.23 -1.26 -1.51 115.64 111.15 3kdi s THR 36 Ca -0.13 -1.84 -0.28 0.00 -1.18 0.00 0.00 61.69 58.26 3kdi s THR 36 Cb -0.17 -1.83 0.09 0.00 1.34 0.00 0.00 72.50 71.94 3kdi s THR 36 CO 0.03 -0.21 0.81 -0.55 -0.54 0.00 0.00 174.62 174.16 3kdi s SER 37 N -2.47 -0.46 -0.11 3.99 0.15 -1.00 -4.99 113.70 108.81 3kdi s SER 37 Ca 0.14 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.99 3kdi s SER 37 Cb -0.07 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 3kdi s SER 37 CO 0.07 -0.65 -0.16 -0.22 1.20 0.00 0.00 173.24 173.48 3kdi s LEU 38 N -2.09 1.74 0.04 3.45 2.96 -1.26 -1.46 118.68 122.06 3kdi s LEU 38 Ca 0.00 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3kdi s LEU 38 Cb -0.01 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3kdi s LEU 38 CO -0.05 0.02 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.17 3kdi s ILE 39 N 0.98 2.67 0.05 6.68 -1.09 0.17 -4.97 121.20 125.69 3kdi s ILE 39 Ca -0.07 -1.21 0.04 0.00 -2.23 0.00 0.00 60.65 57.19 3kdi s ILE 39 Cb -0.15 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.60 3kdi s ILE 39 CO -0.02 0.35 -0.13 0.42 -1.23 0.00 0.00 174.94 174.34 3kdi s THR 40 N -0.89 1.00 -0.18 2.92 -4.23 -1.26 -0.50 115.64 112.50 3kdi s THR 40 Ca 0.14 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.49 3kdi s THR 40 Cb -0.10 -0.94 0.08 0.00 1.34 0.00 0.00 72.50 72.87 3kdi s THR 40 CO 0.04 -0.13 0.39 -1.58 -0.54 0.00 0.00 174.62 172.81 3kdi s GLN 41 N -1.37 0.31 -0.16 3.99 2.00 -0.75 -4.98 119.66 118.70 3kdi s GLN 41 Ca -0.01 0.94 -0.24 0.00 -2.00 0.00 0.00 55.36 54.05 3kdi s GLN 41 Cb -0.09 0.20 -0.02 0.00 0.80 0.00 0.00 33.01 33.90 3kdi s GLN 41 CO 0.01 -0.24 0.75 0.50 -0.50 0.00 0.00 175.29 175.82 3kdi s ARG 42 N 2.32 4.30 -0.12 1.67 3.52 -1.26 -0.81 118.95 128.58 3kdi s ARG 42 Ca -0.03 0.87 0.03 0.00 -0.13 0.00 0.00 55.73 56.47 3kdi s ARG 42 Cb -0.11 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3kdi s ARG 42 CO -0.12 -0.23 -0.22 0.42 -0.81 0.00 0.00 175.30 174.35 3kdi s ILE 43 N 1.82 2.17 -1.44 4.11 1.01 0.17 -4.98 121.20 124.05 3kdi s ILE 43 Ca 0.35 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3kdi s ILE 43 Cb -0.17 -1.85 0.05 0.00 0.01 0.00 0.00 42.46 40.50 3kdi s ILE 43 CO 0.13 0.55 2.28 1.41 0.00 0.00 0.00 174.94 179.31 3kdi n HIS 44 N 3.77 3.19 -3.58 3.97 8.25 -1.26 0.31 115.22 129.87 3kdi n HIS 44 Ca -0.19 -2.95 -0.11 0.00 -0.26 0.00 0.00 57.72 54.21 3kdi n HIS 44 Cb 0.52 -2.39 -0.04 0.00 1.12 0.00 0.00 29.99 29.20 3kdi n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kdi s ALA 45 N 2.24 -1.11 0.68 -1.41 0.00 -1.26 -4.81 121.76 116.09 3kdi s ALA 45 Ca 0.49 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 3kdi s ALA 45 Cb 0.14 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3kdi s ALA 45 CO -0.07 -0.65 1.17 -2.14 0.00 0.00 0.00 175.76 174.07 3kdi s PRO 46 N -3.64 2.54 0.48 0.00 0.02 -1.26 -2.97 135.00 130.17 3kdi s PRO 46 Ca 0.02 1.65 0.14 0.00 0.02 0.00 0.00 61.00 62.83 3kdi s PRO 46 Cb 0.01 -1.89 1.15 0.00 0.02 0.00 0.00 34.50 33.78 3kdi s PRO 46 CO -0.11 -1.51 2.09 0.00 -0.33 0.00 0.00 177.00 177.15 3kdi h ALA 47 N 0.07 1.97 0.00 -1.55 0.00 -1.95 -1.63 119.26 116.17 3kdi h ALA 47 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3kdi h ALA 47 Cb 1.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kdi h ALA 47 CO 0.52 -0.00 -0.08 0.66 0.00 0.00 0.00 179.25 180.35 3kdi h SER 48 N 0.19 0.00 0.12 0.00 4.64 -2.01 -0.87 113.55 115.63 3kdi h SER 48 Ca 0.09 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.08 3kdi h SER 48 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3kdi h SER 48 CO -0.02 0.08 -1.76 0.58 -0.87 0.00 0.00 176.83 174.85 3kdi h VAL 49 N 0.00 0.79 -0.08 0.95 2.07 -1.69 -3.40 116.25 114.90 3kdi h VAL 49 Ca -0.00 -2.37 -0.05 0.00 0.82 0.00 0.00 66.70 65.11 3kdi h VAL 49 Cb 0.39 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3kdi h VAL 49 CO 0.01 0.79 -0.13 0.58 0.02 0.00 0.00 177.57 178.84 3kdi h VAL 50 N -0.11 1.40 -0.48 2.57 2.07 -1.12 -3.33 116.25 117.24 3kdi h VAL 50 Ca -0.38 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 65.83 3kdi h VAL 50 Cb 1.91 2.13 -0.08 0.00 -1.52 0.00 0.00 31.29 33.74 3kdi h VAL 50 CO 0.07 0.39 -0.00 -0.25 0.02 0.00 0.00 177.57 177.80 3kdi h TRP 51 N -0.23 -0.03 0.00 1.57 2.91 -1.41 -2.55 115.95 116.21 3kdi h TRP 51 Ca 0.01 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 3kdi h TRP 51 Cb 0.70 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.44 3kdi h TRP 51 CO 0.11 -0.11 -0.06 -1.35 -1.03 0.00 0.00 178.44 176.00 3kdi h PRO 52 N 0.11 0.00 -0.28 2.65 0.11 -1.77 0.47 132.00 133.29 3kdi h PRO 52 Ca 0.24 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.20 3kdi h PRO 52 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3kdi h PRO 52 CO -0.40 0.06 -0.42 -0.07 -0.21 0.00 0.00 178.00 176.96 3kdi h LEU 53 N 0.00 0.74 0.10 2.35 3.38 -1.59 -2.70 115.31 117.60 3kdi h LEU 53 Ca -0.00 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 3kdi h LEU 53 Cb 0.26 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kdi h LEU 53 CO 0.01 1.07 -0.66 0.40 0.09 0.00 0.00 178.44 179.34 3kdi h ILE 54 N 0.56 1.53 -0.03 1.22 2.04 -1.31 -3.33 117.51 118.19 3kdi h ILE 54 Ca 0.04 -2.47 0.01 0.00 1.00 0.00 0.00 64.86 63.44 3kdi h ILE 54 Cb 0.96 3.19 -0.00 0.00 -0.74 0.00 0.00 36.82 40.23 3kdi h ILE 54 CO 0.09 0.68 0.10 -0.09 0.00 0.00 0.00 178.15 178.92 3kdi h ARG 55 N -0.55 0.00 -6.06 2.37 9.65 -0.14 -3.38 114.38 116.27 3kdi h ARG 55 Ca -0.12 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.17 3kdi h ARG 55 Cb 1.47 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.95 3kdi h ARG 55 CO 0.09 0.00 1.20 0.50 2.80 0.00 0.00 179.97 184.56 3kdi s ARG 56 N -4.30 3.40 0.34 0.20 6.06 -1.02 -4.87 118.95 118.76 3kdi s ARG 56 Ca -0.05 -0.82 0.14 0.00 -2.50 0.00 0.00 55.73 52.51 3kdi s ARG 56 Cb 0.13 -4.79 0.61 0.00 0.06 0.00 0.00 34.95 30.96 3kdi s ARG 56 CO 0.43 -2.12 1.73 0.35 -2.50 0.00 0.00 175.30 173.20 3kdi h PHE 57 N 9.79 0.00 -0.19 5.12 3.57 -1.88 -2.79 116.94 130.56 3kdi h PHE 57 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kdi h PHE 57 Cb 1.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3kdi h PHE 57 CO 1.19 0.45 0.00 -0.40 -2.23 0.00 0.00 178.31 177.32 3kdi n ASP 58 N -3.80 1.60 -2.55 0.41 5.75 -1.26 -4.42 116.55 112.29 3kdi n ASP 58 Ca -0.01 -1.75 -0.14 0.00 -0.01 0.00 0.00 54.79 52.88 3kdi n ASP 58 Cb 0.51 -0.12 0.03 0.00 -1.03 0.00 0.00 41.12 40.50 3kdi n ASP 58 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kdi n ASN 59 N 0.30 2.88 0.25 -1.12 4.05 -1.05 -4.38 115.26 116.19 3kdi n ASN 59 Ca 0.15 -2.95 0.13 0.00 0.45 0.00 0.00 54.58 52.36 3kdi n ASN 59 Cb 0.31 -0.46 0.60 0.00 1.23 0.00 0.00 39.78 41.45 3kdi n ASN 59 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3kdi h PRO 60 N 2.64 0.00 0.00 1.20 0.11 -1.77 -2.98 132.00 131.21 3kdi h PRO 60 Ca 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3kdi h PRO 60 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kdi h PRO 60 CO 0.54 0.12 -0.00 1.05 -0.21 0.00 0.00 178.00 179.50 3kdi h GLU 61 N 0.00 0.00 -0.58 1.05 9.09 -1.88 0.83 114.58 123.10 3kdi h GLU 61 Ca -0.00 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.51 3kdi h GLU 61 Cb 0.59 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.61 3kdi h GLU 61 CO 0.02 0.00 0.16 0.00 0.05 0.00 0.00 179.01 179.24 3kdi h ARG 62 N 0.00 0.30 0.00 1.06 3.08 -1.87 -3.38 114.38 113.57 3kdi h ARG 62 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kdi h ARG 62 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kdi h ARG 62 CO 0.00 0.20 -0.27 2.48 -1.07 0.00 0.00 179.97 181.31 3kdi n TYR 63 N -5.07 0.00 -2.28 3.04 0.18 -0.98 -5.05 117.16 107.01 3kdi n TYR 63 Ca 0.08 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 3kdi n TYR 63 Cb 0.29 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.22 3kdi n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kdi s LYS 64 N -0.75 4.32 0.13 -3.48 1.02 0.25 -4.35 119.74 116.89 3kdi s LYS 64 Ca 0.00 1.92 -0.19 0.00 0.02 0.00 0.00 55.97 57.72 3kdi s LYS 64 Cb 0.00 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3kdi s LYS 64 CO 0.00 -0.48 1.72 1.25 -0.92 0.00 0.00 175.35 176.92 3kdi h HIS 65 N 7.40 -0.01 -0.41 3.18 -0.00 -1.89 -2.69 115.15 120.74 3kdi h HIS 65 Ca -0.39 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3kdi h HIS 65 Cb 1.19 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3kdi h HIS 65 CO 0.72 -0.04 0.00 1.19 -0.00 0.00 0.00 177.93 179.80 3kdi n PHE 66 N -5.15 0.53 -3.06 5.26 3.72 -1.26 -4.92 117.46 112.58 3kdi n PHE 66 Ca -0.02 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.71 3kdi n PHE 66 Cb 0.12 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3kdi n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3kdi s VAL 67 N -1.47 4.95 -0.18 -4.37 1.01 -1.01 -0.93 120.40 118.40 3kdi s VAL 67 Ca 0.37 1.24 -0.22 0.00 0.00 0.00 0.00 61.98 63.37 3kdi s VAL 67 Cb 0.21 -3.98 -0.21 0.00 0.00 0.00 0.00 36.38 32.39 3kdi s VAL 67 CO 0.28 0.01 0.37 0.11 0.00 0.00 0.00 175.10 175.87 3kdi h LYS 68 N 7.80 0.03 -3.76 2.72 1.57 -0.94 -3.44 116.57 120.56 3kdi h LYS 68 Ca -0.26 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 3kdi h LYS 68 Cb 1.12 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.29 3kdi h LYS 68 CO 0.79 1.02 -0.41 -0.98 -0.57 0.00 0.00 179.45 179.31 3kdi s ARG 69 N -2.35 0.76 -0.25 3.15 1.70 -1.11 -4.93 118.95 115.91 3kdi s ARG 69 Ca -0.26 -0.85 -0.21 0.00 -0.47 0.00 0.00 55.73 53.94 3kdi s ARG 69 Cb 0.04 0.31 0.07 0.00 -0.57 0.00 0.00 34.95 34.79 3kdi s ARG 69 CO 0.63 -0.22 0.65 0.00 -1.08 0.00 0.00 175.30 175.28 3kdi s ARG 71 N 0.57 0.71 0.19 0.00 1.70 -1.12 -4.73 118.95 116.27 3kdi s ARG 71 Ca -0.02 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 53.93 3kdi s ARG 71 Cb -0.05 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 3kdi s ARG 71 CO -0.03 -0.19 1.26 -0.51 -1.08 0.00 0.00 175.30 174.76 3kdi s LEU 72 N -2.74 4.43 0.00 -1.89 1.43 -1.26 -1.30 118.68 117.35 3kdi s LEU 72 Ca 0.04 2.32 0.12 0.00 -1.03 0.00 0.00 54.13 55.59 3kdi s LEU 72 Cb 0.05 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 3kdi s LEU 72 CO -0.09 -0.46 0.71 2.30 0.23 0.00 0.00 176.35 179.04 3kdi n ILE 73 N 2.59 0.00 -3.58 -0.59 -5.35 0.29 -4.89 119.36 107.82 3kdi n ILE 73 Ca 0.05 -0.37 -0.11 0.00 -0.27 0.00 0.00 62.75 62.06 3kdi n ILE 73 Cb 0.44 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.42 3kdi n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3kdi s SER 74 N -1.59 -0.43 0.00 7.28 0.15 -1.12 -4.96 113.70 113.03 3kdi s SER 74 Ca 0.10 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.31 3kdi s SER 74 Cb 0.10 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3kdi s SER 74 CO 0.32 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3kdi n GLY 75 N 1.11 -2.36 0.29 9.45 0.00 -1.26 -1.41 105.19 111.01 3kdi n GLY 75 Ca -0.12 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.40 3kdi n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdi n ASP 76 N -0.93 1.44 0.00 1.61 8.00 -1.26 -4.91 116.55 120.50 3kdi n ASP 76 Ca 0.00 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.79 3kdi n ASP 76 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3kdi n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdi n GLY 77 N -0.86 0.90 4.01 0.44 0.00 -1.26 -5.11 105.19 103.31 3kdi n GLY 77 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3kdi n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kdi s ASP 78 N -1.28 5.06 0.26 1.61 -0.00 -1.26 -4.81 116.67 116.25 3kdi s ASP 78 Ca 0.00 -0.89 -0.29 0.00 -0.00 0.00 0.00 52.55 51.38 3kdi s ASP 78 Cb 0.00 0.23 -0.15 0.00 -0.00 0.00 0.00 42.92 43.00 3kdi s ASP 78 CO 0.00 -1.24 0.93 1.33 -0.00 0.00 0.00 175.17 176.19 3kdi n VAL 79 N -2.11 1.86 -0.27 -1.27 0.24 -1.26 -1.54 118.33 113.98 3kdi n VAL 79 Ca 0.12 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3kdi n VAL 79 Cb 0.62 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 3kdi n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdi n GLY 80 N 1.47 0.66 3.79 7.63 0.00 0.85 -5.00 105.19 114.60 3kdi n GLY 80 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3kdi n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kdi s SER 81 N -2.97 6.91 -0.07 1.61 0.01 -0.59 -4.56 113.70 114.05 3kdi s SER 81 Ca 0.00 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.15 3kdi s SER 81 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3kdi s SER 81 CO 0.00 -0.38 -0.14 -0.69 0.41 0.00 0.00 173.24 172.44 3kdi s VAL 82 N -1.84 1.27 0.10 3.43 1.01 -0.50 -0.57 120.40 123.30 3kdi s VAL 82 Ca 0.58 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3kdi s VAL 82 Cb -0.16 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3kdi s VAL 82 CO 0.21 0.38 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 3kdi s ARG 83 N 0.60 2.28 -0.31 2.72 1.70 0.10 -0.55 118.95 125.49 3kdi s ARG 83 Ca -0.15 -0.97 -0.09 0.00 -0.47 0.00 0.00 55.73 54.05 3kdi s ARG 83 Cb -0.16 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 3kdi s ARG 83 CO 0.04 0.51 0.13 -2.00 -1.08 0.00 0.00 175.30 172.90 3kdi s GLU 84 N -2.30 3.20 -0.21 3.89 2.56 -0.42 -1.53 118.70 123.90 3kdi s GLU 84 Ca 0.23 -0.80 -0.08 0.00 0.00 0.00 0.00 54.97 54.33 3kdi s GLU 84 Cb -0.11 -3.50 -0.04 0.00 2.00 0.00 0.00 34.13 32.49 3kdi s GLU 84 CO 0.16 -0.45 0.07 0.08 -0.56 0.00 0.00 175.26 174.56 3kdi s VAL 85 N 1.56 4.66 -0.27 3.70 1.01 0.38 -2.79 120.40 128.64 3kdi s VAL 85 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 3kdi s VAL 85 Cb -0.17 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3kdi s VAL 85 CO 0.05 0.41 0.10 -0.89 0.00 0.00 0.00 175.10 174.77 3kdi s THR 86 N 0.85 4.43 0.46 3.92 2.01 0.36 -1.11 115.64 126.56 3kdi s THR 86 Ca 0.04 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 61.84 3kdi s THR 86 Cb -0.14 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.25 3kdi s THR 86 CO 0.02 0.22 0.63 0.54 -0.69 0.00 0.00 174.62 175.34 3kdi s VAL 87 N 1.61 2.80 0.17 3.82 0.11 -0.88 -0.30 120.40 127.74 3kdi s VAL 87 Ca 0.05 -0.99 -0.31 0.00 -2.93 0.00 0.00 61.98 57.81 3kdi s VAL 87 Cb -0.16 -2.81 -0.09 0.00 -1.53 0.00 0.00 36.38 31.79 3kdi s VAL 87 CO 0.05 0.00 1.44 -0.51 -3.33 0.00 0.00 175.10 172.75 3kdi s ILE 88 N -2.43 2.96 0.15 7.04 2.07 -0.11 -4.70 121.20 126.18 3kdi s ILE 88 Ca 0.57 0.73 -0.31 0.00 -1.41 0.00 0.00 60.65 60.23 3kdi s ILE 88 Cb -0.09 -3.46 -0.08 0.00 0.13 0.00 0.00 42.46 38.95 3kdi s ILE 88 CO 0.34 0.08 1.35 -0.94 -1.91 0.00 0.00 174.94 173.86 3kdi s SER 89 N 0.83 6.86 0.00 4.50 1.04 -1.26 -4.28 113.70 121.39 3kdi s SER 89 Ca 0.64 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.43 3kdi s SER 89 Cb -0.40 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.12 3kdi s SER 89 CO 0.35 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3kdi n GLY 90 N 2.96 0.20 3.84 7.32 0.00 -1.26 -5.15 105.19 113.11 3kdi n GLY 90 Ca 0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 3kdi n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdi s LEU 91 N -0.34 -0.04 0.00 0.99 1.43 -1.26 -4.99 118.68 114.47 3kdi s LEU 91 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3kdi s LEU 91 Cb 0.00 1.89 0.00 0.00 0.03 0.00 0.00 46.19 48.11 3kdi s LEU 91 CO 0.00 -0.78 0.33 -2.65 0.23 0.00 0.00 176.35 173.47 3kdi n PRO 92 N -0.66 0.56 -3.55 1.29 -0.02 -1.26 -4.83 135.00 126.53 3kdi n PRO 92 Ca -0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.38 3kdi n PRO 92 Cb 0.60 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.82 3kdi n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdi s ALA 93 N -1.16 -1.94 0.00 3.55 0.00 -1.26 -4.03 121.76 116.92 3kdi s ALA 93 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3kdi s ALA 93 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 3kdi s ALA 93 CO 0.00 -0.65 0.00 0.43 0.00 0.00 0.00 175.76 175.54 3kdi n SER 94 N -0.18 4.12 -3.63 0.00 7.64 0.10 -4.70 113.62 116.97 3kdi n SER 94 Ca -0.04 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.74 3kdi n SER 94 Cb 0.60 0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 64.23 3kdi n SER 94 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kdi s THR 95 N -1.79 0.00 0.01 0.44 2.01 -1.19 -2.07 115.64 113.06 3kdi s THR 95 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3kdi s THR 95 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3kdi s THR 95 CO 0.00 0.00 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.32 3kdi s SER 96 N 0.15 0.73 -0.23 3.53 0.15 -0.26 -1.40 113.70 116.37 3kdi s SER 96 Ca 0.03 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 3kdi s SER 96 Cb -0.05 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 3kdi s SER 96 CO -0.05 -0.04 -0.03 -0.89 1.20 0.00 0.00 173.24 173.43 3kdi s THR 97 N -0.61 3.51 0.02 6.45 2.01 0.87 -0.47 115.64 127.42 3kdi s THR 97 Ca -0.02 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3kdi s THR 97 Cb -0.05 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 3kdi s THR 97 CO 0.00 0.41 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.58 3kdi s GLU 98 N 1.50 1.03 -0.04 4.92 2.02 -0.58 0.49 118.70 128.03 3kdi s GLU 98 Ca 0.06 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.43 3kdi s GLU 98 Cb -0.14 -1.03 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 3kdi s GLU 98 CO -0.02 0.27 -0.23 0.50 0.02 0.00 0.00 175.26 175.80 3kdi s ARG 99 N -0.87 2.21 -0.32 1.61 3.52 -0.32 0.01 118.95 124.80 3kdi s ARG 99 Ca 0.03 -0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 54.54 3kdi s ARG 99 Cb -0.07 -1.93 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 3kdi s ARG 99 CO 0.01 0.37 1.01 -1.17 -0.81 0.00 0.00 175.30 174.71 3kdi s LEU 100 N -0.20 3.97 -0.19 -0.88 2.96 0.26 -1.78 118.68 122.83 3kdi s LEU 100 Ca -0.01 0.95 0.16 0.00 -0.22 0.00 0.00 54.13 55.02 3kdi s LEU 100 Cb -0.12 -3.44 -0.23 0.00 0.50 0.00 0.00 46.19 42.90 3kdi s LEU 100 CO 0.02 -0.83 0.06 -0.62 -1.32 0.00 0.00 176.35 173.67 3kdi n GLU 101 N 6.73 0.94 -3.68 1.98 -0.58 -0.58 -0.11 120.64 125.35 3kdi n GLU 101 Ca 0.10 -0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.69 3kdi n GLU 101 Cb 0.47 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.78 3kdi n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kdi s PHE 102 N -2.45 -0.56 -0.10 -0.32 5.36 -1.08 -4.86 117.98 113.96 3kdi s PHE 102 Ca -0.09 1.32 -0.09 0.00 -0.96 0.00 0.00 56.93 57.11 3kdi s PHE 102 Cb 0.06 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 3kdi s PHE 102 CO 0.76 -0.32 0.26 0.08 -1.46 0.00 0.00 175.22 174.54 3kdi s VAL 103 N 0.01 -0.00 -0.32 3.12 1.01 -1.26 -1.84 120.40 121.12 3kdi s VAL 103 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3kdi s VAL 103 Cb -0.04 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 36.09 3kdi s VAL 103 CO 0.02 0.01 0.14 -0.62 0.00 0.00 0.00 175.10 174.65 3kdi s ASP 104 N 0.26 3.60 0.16 3.32 3.68 0.40 -4.98 116.67 123.11 3kdi s ASP 104 Ca -0.01 -1.68 0.23 0.00 2.13 0.00 0.00 52.55 53.22 3kdi s ASP 104 Cb -0.03 -0.58 0.89 0.00 -1.45 0.00 0.00 42.92 41.76 3kdi s ASP 104 CO -0.01 -0.39 1.70 0.47 0.13 0.00 0.00 175.17 177.07 3kdi n ASP 105 N 4.75 0.48 0.02 -0.34 8.00 -1.26 0.93 116.55 129.13 3kdi n ASP 105 Ca -0.00 0.59 -0.21 0.00 0.71 0.00 0.00 54.79 55.88 3kdi n ASP 105 Cb 0.40 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 3kdi n ASP 105 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kdi h ASP 106 N 0.00 0.43 0.44 -2.24 3.32 -1.96 -3.36 116.42 113.04 3kdi h ASP 106 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.17 3kdi h ASP 106 Cb 0.44 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kdi h ASP 106 CO 0.00 1.78 -0.75 1.41 -1.72 0.00 0.00 179.24 179.96 3kdi n HIS 107 N -3.47 0.14 -3.26 4.55 8.25 -1.12 -4.99 115.22 115.30 3kdi n HIS 107 Ca -0.29 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.08 3kdi n HIS 107 Cb 1.05 -0.31 0.05 0.00 1.12 0.00 0.00 29.99 31.90 3kdi n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kdi n ARG 108 N -1.71 -1.88 -4.28 -0.41 1.74 0.26 -4.58 116.66 105.80 3kdi n ARG 108 Ca 0.04 0.98 -0.19 0.00 -0.77 0.00 0.00 57.85 57.91 3kdi n ARG 108 Cb 0.38 -5.55 -0.15 0.00 -1.02 0.00 0.00 32.46 26.12 3kdi n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kdi s VAL 109 N -3.29 0.62 0.15 1.55 1.01 -0.90 -1.34 120.40 118.20 3kdi s VAL 109 Ca 0.34 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3kdi s VAL 109 Cb -0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3kdi s VAL 109 CO 0.76 0.20 0.20 -1.48 0.00 0.00 0.00 175.10 174.78 3kdi s LEU 110 N 0.17 1.27 -0.07 3.92 2.34 0.37 -0.45 118.68 126.23 3kdi s LEU 110 Ca -0.02 -0.95 -0.11 0.00 0.06 0.00 0.00 54.13 53.11 3kdi s LEU 110 Cb -0.07 0.90 0.02 0.00 -0.56 0.00 0.00 46.19 46.49 3kdi s LEU 110 CO 0.00 -0.83 0.27 -0.55 -1.06 0.00 0.00 176.35 174.18 3kdi s SER 111 N -2.98 -0.22 0.13 1.48 0.15 -0.76 0.06 113.70 111.55 3kdi s SER 111 Ca 0.18 0.33 -0.06 0.00 0.70 0.00 0.00 55.95 57.10 3kdi s SER 111 Cb 0.05 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3kdi s SER 111 CO -0.01 -0.23 0.17 0.72 1.20 0.00 0.00 173.24 175.09 3kdi s PHE 112 N -0.46 0.49 0.04 3.44 -0.12 -0.89 -1.53 117.98 118.95 3kdi s PHE 112 Ca -0.06 -0.89 0.02 0.00 -0.05 0.00 0.00 56.93 55.96 3kdi s PHE 112 Cb -0.04 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 3kdi s PHE 112 CO 0.02 -0.59 -0.08 -0.98 -0.05 0.00 0.00 175.22 173.54 3kdi s ARG 113 N -3.96 0.54 0.39 1.99 1.70 -0.73 -1.68 118.95 117.20 3kdi s ARG 113 Ca 0.15 -0.74 -0.25 0.00 -0.47 0.00 0.00 55.73 54.42 3kdi s ARG 113 Cb 0.05 -0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.02 3kdi s ARG 113 CO -0.03 0.06 1.16 0.08 -1.08 0.00 0.00 175.30 175.49 3kdi s VAL 114 N -1.30 3.22 0.00 4.99 1.01 0.06 -1.17 120.40 127.21 3kdi s VAL 114 Ca -0.09 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3kdi s VAL 114 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3kdi s VAL 114 CO 0.00 0.09 0.06 0.55 0.00 0.00 0.00 175.10 175.81 3kdi n VAL 115 N 0.11 0.00 -2.32 2.92 3.14 0.18 -4.64 118.33 117.71 3kdi n VAL 115 Ca 0.04 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3kdi n VAL 115 Cb 0.47 1.23 0.00 0.00 -1.06 0.00 0.00 33.84 34.48 3kdi n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kdi n GLY 116 N 0.22 -1.92 0.00 7.55 0.00 -1.15 -4.97 105.19 104.92 3kdi n GLY 116 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3kdi n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdi n GLY 117 N -0.36 2.56 3.43 -0.02 0.00 -1.26 -0.09 105.19 109.44 3kdi n GLY 117 Ca 0.00 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 3kdi n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdi s GLU 118 N -2.19 3.61 0.03 1.61 2.02 -0.49 -4.93 118.70 118.35 3kdi s GLU 118 Ca 0.00 -1.92 -0.04 0.00 0.02 0.00 0.00 54.97 53.04 3kdi s GLU 118 Cb 0.00 -4.82 0.01 0.00 0.10 0.00 0.00 34.13 29.42 3kdi s GLU 118 CO 0.00 -1.67 0.17 -2.39 0.02 0.00 0.00 175.26 171.39 3kdi n HIS 119 N 6.01 -0.75 0.20 1.61 1.44 -1.26 -0.72 115.22 121.74 3kdi n HIS 119 Ca 0.22 -0.23 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 3kdi n HIS 119 Cb 0.49 0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.71 3kdi n HIS 119 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3kdi n ARG 120 N -0.12 1.71 -1.59 -1.40 1.74 -1.26 -4.83 116.66 110.91 3kdi n ARG 120 Ca -0.00 -0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 56.16 3kdi n ARG 120 Cb 0.10 -0.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.57 3kdi n ARG 120 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kdi n LEU 121 N -0.20 7.88 -4.74 0.55 4.77 -1.26 -4.62 117.00 119.38 3kdi n LEU 121 Ca 0.02 -4.35 -0.42 0.00 -0.03 0.00 0.00 56.01 51.24 3kdi n LEU 121 Cb 0.10 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.59 3kdi n LEU 121 CO 0.05 1.68 1.11 -0.54 -1.33 0.00 0.00 177.39 178.36 3kdi s LYS 122 N 2.13 4.27 -1.84 3.23 3.01 -1.26 -2.38 119.74 126.91 3kdi s LYS 122 Ca 0.58 2.28 0.00 0.00 -1.01 0.00 0.00 55.97 57.82 3kdi s LYS 122 Cb 0.16 -3.13 0.00 0.00 -1.01 0.00 0.00 37.83 33.85 3kdi s LYS 122 CO -0.07 -0.44 0.00 0.09 0.51 0.00 0.00 175.35 175.44 3kdi n ASN 123 N 2.74 -5.80 -4.75 2.83 3.02 -1.26 -1.34 115.26 110.70 3kdi n ASN 123 Ca 0.08 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3kdi n ASN 123 Cb 0.40 -4.87 -0.02 0.00 -0.61 0.00 0.00 39.78 34.69 3kdi n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kdi s TYR 124 N -2.99 2.79 -0.11 3.10 5.04 -1.00 -4.38 117.35 119.81 3kdi s TYR 124 Ca 0.00 0.73 -0.07 0.00 -2.44 0.00 0.00 57.07 55.29 3kdi s TYR 124 Cb 0.00 -4.06 0.04 0.00 0.35 0.00 0.00 41.96 38.28 3kdi s TYR 124 CO 0.00 -3.64 0.26 0.21 -1.34 0.00 0.00 175.55 171.04 3kdi s LYS 125 N -0.24 0.26 0.12 4.97 2.20 0.61 -0.76 119.74 126.90 3kdi s LYS 125 Ca 0.65 0.48 0.06 0.00 -0.36 0.00 0.00 55.97 56.80 3kdi s LYS 125 Cb -0.48 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 3kdi s LYS 125 CO 0.45 -0.11 -0.14 -1.54 -0.36 0.00 0.00 175.35 173.65 3kdi s SER 126 N 0.82 1.97 -0.11 1.43 1.04 -0.67 -0.37 113.70 117.81 3kdi s SER 126 Ca -0.06 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.57 3kdi s SER 126 Cb -0.07 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.00 3kdi s SER 126 CO -0.05 -0.16 -0.16 -0.69 0.98 0.00 0.00 173.24 173.16 3kdi s VAL 127 N -2.20 1.52 -0.11 5.02 1.01 -0.10 -2.09 120.40 123.45 3kdi s VAL 127 Ca 0.09 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3kdi s VAL 127 Cb -0.04 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 3kdi s VAL 127 CO 0.03 0.45 -0.20 -0.89 0.00 0.00 0.00 175.10 174.48 3kdi s THR 128 N 0.94 2.39 0.05 3.92 2.01 0.11 -1.67 115.64 123.39 3kdi s THR 128 Ca -0.07 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.11 3kdi s THR 128 Cb -0.15 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3kdi s THR 128 CO -0.01 0.55 -0.23 -0.94 -0.69 0.00 0.00 174.62 173.30 3kdi s SER 129 N 0.37 2.77 -0.20 3.53 1.04 -0.06 -0.48 113.70 120.67 3kdi s SER 129 Ca -0.16 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 3kdi s SER 129 Cb -0.17 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.71 3kdi s SER 129 CO 0.07 0.20 -0.09 -0.69 0.98 0.00 0.00 173.24 173.71 3kdi s VAL 130 N -0.81 3.01 -0.27 5.02 1.01 -0.45 -1.43 120.40 126.48 3kdi s VAL 130 Ca 0.09 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kdi s VAL 130 Cb -0.09 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 34.03 3kdi s VAL 130 CO 0.02 0.47 -0.00 0.20 0.00 0.00 0.00 175.10 175.78 3kdi s ASN 131 N 1.26 4.05 0.16 3.32 0.01 -0.67 -4.76 114.94 118.30 3kdi s ASN 131 Ca 0.03 -1.45 -0.26 0.00 -0.71 0.00 0.00 52.86 50.47 3kdi s ASN 131 Cb -0.14 -1.20 -0.08 0.00 0.41 0.00 0.00 41.25 40.24 3kdi s ASN 131 CO -0.04 -0.30 0.81 -0.70 -1.51 0.00 0.00 177.10 175.36 3kdi s GLU 132 N 1.34 4.61 0.20 -0.60 2.12 -1.26 -1.27 118.70 123.83 3kdi s GLU 132 Ca 0.00 1.21 0.08 0.00 0.36 0.00 0.00 54.97 56.62 3kdi s GLU 132 Cb -0.19 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 3kdi s GLU 132 CO -0.10 0.50 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.92 3kdi s PHE 133 N -0.92 1.68 -0.22 5.30 0.08 -0.33 -4.98 117.98 118.58 3kdi s PHE 133 Ca 0.38 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.81 3kdi s PHE 133 Cb -0.23 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 3kdi s PHE 133 CO 0.27 0.33 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.51 3kdi s LEU 134 N -3.25 2.91 -1.50 -0.37 0.20 -1.26 -1.72 118.68 113.68 3kdi s LEU 134 Ca 0.21 -0.38 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 3kdi s LEU 134 Cb -0.01 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 3kdi s LEU 134 CO 0.06 -0.02 2.61 -3.20 -0.29 0.00 0.00 176.35 175.51 3kdi n ASN 135 N 4.78 7.29 -4.71 3.68 2.85 0.19 -4.91 115.26 124.44 3kdi n ASN 135 Ca -0.18 -2.79 -0.39 0.00 -0.11 0.00 0.00 54.58 51.11 3kdi n ASN 135 Cb 0.51 -1.53 -0.05 0.00 1.24 0.00 0.00 39.78 39.94 3kdi n ASN 135 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 3kdi s GLN 136 N 1.58 4.36 0.01 1.20 0.74 -1.26 -0.82 119.66 125.46 3kdi s GLN 136 Ca 0.59 0.65 -0.16 0.00 0.05 0.00 0.00 55.36 56.49 3kdi s GLN 136 Cb 0.17 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.75 3kdi s GLN 136 CO -0.07 0.05 0.45 0.34 -0.55 0.00 0.00 175.29 175.51 3kdi s ASP 137 N 0.80 6.86 0.00 6.67 2.15 -1.26 -4.97 116.67 126.91 3kdi s ASP 137 Ca 0.31 1.02 0.00 0.00 0.43 0.00 0.00 52.55 54.31 3kdi s ASP 137 Cb -0.16 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 3kdi s ASP 137 CO 0.13 0.30 0.00 -0.24 -0.17 0.00 0.00 175.17 175.19 3kdi n SER 138 N 1.90 0.00 0.00 -0.34 2.88 -0.00 -4.98 113.62 113.07 3kdi n SER 138 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 3kdi n SER 138 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3kdi n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kdi n GLY 139 N 0.00 2.75 3.82 0.46 0.00 -0.44 -4.99 105.19 106.80 3kdi n GLY 139 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kdi n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdi s LYS 140 N -0.05 4.21 0.45 1.61 1.02 -1.25 -4.66 119.74 121.07 3kdi s LYS 140 Ca 0.00 0.90 -0.02 0.00 0.02 0.00 0.00 55.97 56.87 3kdi s LYS 140 Cb 0.00 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3kdi s LYS 140 CO 0.00 0.25 0.70 0.14 -0.92 0.00 0.00 175.35 175.52 3kdi s VAL 141 N -1.77 4.58 0.31 3.17 -7.23 -1.26 0.55 120.40 118.75 3kdi s VAL 141 Ca 0.50 -0.20 -0.10 0.00 -1.81 0.00 0.00 61.98 60.38 3kdi s VAL 141 Cb -0.14 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.10 3kdi s VAL 141 CO 0.19 -0.59 0.54 -0.72 -0.31 0.00 0.00 175.10 174.21 3kdi s TYR 142 N -2.60 0.58 -0.02 2.82 1.13 -0.70 -4.43 117.35 114.12 3kdi s TYR 142 Ca 0.46 -0.95 0.05 0.00 -1.41 0.00 0.00 57.07 55.23 3kdi s TYR 142 Cb -0.10 0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.96 3kdi s TYR 142 CO 0.41 -1.16 -0.17 0.99 -2.51 0.00 0.00 175.55 173.11 3kdi s THR 143 N -3.34 1.37 -0.24 -3.49 2.01 0.15 -1.19 115.64 110.90 3kdi s THR 143 Ca 0.24 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 3kdi s THR 143 Cb -0.01 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 3kdi s THR 143 CO 0.14 0.39 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 3kdi s VAL 144 N -0.28 3.44 -0.25 3.82 1.01 -0.40 0.43 120.40 128.17 3kdi s VAL 144 Ca 0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3kdi s VAL 144 Cb -0.08 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3kdi s VAL 144 CO 0.00 0.33 0.39 -0.69 0.00 0.00 0.00 175.10 175.13 3kdi s VAL 145 N 1.47 5.18 -0.17 2.92 1.01 0.01 -1.67 120.40 129.14 3kdi s VAL 145 Ca 0.04 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 3kdi s VAL 145 Cb -0.15 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3kdi s VAL 145 CO -0.02 0.18 0.28 -0.76 0.00 0.00 0.00 175.10 174.78 3kdi s LEU 146 N 1.85 4.23 -0.07 3.92 1.43 -0.51 -1.80 118.68 127.72 3kdi s LEU 146 Ca 0.16 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 3kdi s LEU 146 Cb -0.15 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.74 3kdi s LEU 146 CO 0.09 0.09 0.02 -0.70 0.23 0.00 0.00 176.35 176.08 3kdi s GLU 147 N 0.54 0.45 0.19 1.70 2.12 0.35 -0.88 118.70 123.16 3kdi s GLU 147 Ca 0.16 0.14 0.10 0.00 0.36 0.00 0.00 54.97 55.73 3kdi s GLU 147 Cb -0.13 -0.94 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 3kdi s GLU 147 CO 0.04 -0.33 -0.16 -1.54 -0.54 0.00 0.00 175.26 172.73 3kdi s SER 148 N 2.01 3.88 0.05 -1.70 1.04 -0.67 0.44 113.70 118.76 3kdi s SER 148 Ca 0.05 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 3kdi s SER 148 Cb -0.12 -0.51 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 3kdi s SER 148 CO -0.05 0.11 0.09 -0.72 0.98 0.00 0.00 173.24 173.65 3kdi s TYR 149 N -1.73 0.26 0.01 5.02 1.13 -0.54 -0.92 117.35 120.58 3kdi s TYR 149 Ca 0.23 -0.66 0.07 0.00 -1.41 0.00 0.00 57.07 55.31 3kdi s TYR 149 Cb -0.08 -0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 3kdi s TYR 149 CO 0.13 -0.42 -0.22 0.99 -2.51 0.00 0.00 175.55 173.52 3kdi s THR 150 N -3.26 1.75 -0.03 -3.49 2.01 0.51 -2.38 115.64 110.75 3kdi s THR 150 Ca 0.01 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.83 3kdi s THR 150 Cb 0.03 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.08 3kdi s THR 150 CO -0.08 0.40 0.27 0.54 -0.69 0.00 0.00 174.62 175.07 3kdi s VAL 151 N -0.62 0.05 0.18 3.82 0.11 -0.57 -0.29 120.40 123.09 3kdi s VAL 151 Ca 0.08 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.40 3kdi s VAL 151 Cb -0.09 -0.55 -0.08 0.00 -1.53 0.00 0.00 36.38 34.13 3kdi s VAL 151 CO 0.00 -0.24 1.29 -1.81 -3.33 0.00 0.00 175.10 171.01 3kdi s ASP 152 N -1.09 6.93 -0.20 3.54 1.01 -0.45 -0.82 116.67 125.60 3kdi s ASP 152 Ca -0.11 2.34 -0.29 0.00 0.71 0.00 0.00 52.55 55.20 3kdi s ASP 152 Cb -0.05 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3kdi s ASP 152 CO 0.03 -0.51 1.86 -0.63 0.21 0.00 0.00 175.17 176.14 3kdi s ILE 153 N 0.23 3.37 0.88 0.77 1.01 -0.91 -4.47 121.20 122.08 3kdi s ILE 153 Ca 0.57 0.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.51 3kdi s ILE 153 Cb -0.35 -3.41 0.11 0.00 0.01 0.00 0.00 42.46 38.82 3kdi s ILE 153 CO 0.37 -0.20 1.08 -2.65 0.00 0.00 0.00 174.94 173.54 3kdi n PRO 154 N 8.08 -0.19 -1.93 2.79 -0.02 -1.26 -4.88 135.00 137.60 3kdi n PRO 154 Ca 0.23 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3kdi n PRO 154 Cb 0.45 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3kdi n PRO 154 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kdi s GLU 155 N -4.30 3.98 0.00 -0.52 2.02 -1.26 -2.35 118.70 116.27 3kdi s GLU 155 Ca 0.68 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.81 3kdi s GLU 155 Cb -0.25 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 29.90 3kdi s GLU 155 CO 0.56 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 175.15 3kdi n GLY 156 N 4.50 0.50 3.93 -1.39 0.00 -1.26 -5.05 105.19 106.41 3kdi n GLY 156 Ca 0.19 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3kdi n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kdi s ASN 157 N -2.36 5.89 0.20 1.61 -0.87 -0.99 -5.13 114.94 113.29 3kdi s ASN 157 Ca 0.00 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 3kdi s ASN 157 Cb 0.00 -1.45 -0.04 0.00 -0.02 0.00 0.00 41.25 39.74 3kdi s ASN 157 CO 0.00 -0.21 0.37 0.42 -2.57 0.00 0.00 177.10 175.11 3kdi s THR 158 N -2.12 5.23 0.14 1.60 -4.23 -1.26 -4.86 115.64 110.14 3kdi s THR 158 Ca 0.38 -0.47 -0.19 0.00 -1.18 0.00 0.00 61.69 60.23 3kdi s THR 158 Cb -0.08 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3kdi s THR 158 CO 0.28 -0.17 1.70 -0.08 -0.54 0.00 0.00 174.62 175.81 3kdi h GLU 159 N 1.96 0.01 -0.60 3.99 4.81 -1.98 -0.84 114.58 121.93 3kdi h GLU 159 Ca -0.48 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3kdi h GLU 159 Cb 1.19 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 3kdi h GLU 159 CO 0.68 0.00 0.31 0.93 -0.73 0.00 0.00 179.01 180.20 3kdi h GLU 160 N 0.01 0.56 -0.48 1.92 3.07 -1.99 -0.93 114.58 116.74 3kdi h GLU 160 Ca 0.12 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 3kdi h GLU 160 Cb 0.18 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3kdi h GLU 160 CO -0.25 0.37 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.18 3kdi h ASP 161 N 0.58 0.88 0.33 1.42 5.19 -1.87 -1.27 116.42 121.67 3kdi h ASP 161 Ca 0.27 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3kdi h ASP 161 Cb 0.19 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.47 3kdi h ASP 161 CO -0.19 1.01 -0.16 0.74 -3.12 0.00 0.00 179.24 177.52 3kdi h THR 162 N 0.80 0.70 -0.89 0.35 2.02 -0.71 -1.70 112.91 113.48 3kdi h THR 162 Ca 0.13 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3kdi h THR 162 Cb 0.63 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3kdi h THR 162 CO 0.04 0.06 0.58 0.50 0.37 0.00 0.00 175.52 177.07 3kdi h LYS 163 N -0.59 1.08 -0.21 6.66 3.64 -1.16 -0.32 116.57 125.67 3kdi h LYS 163 Ca -0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3kdi h LYS 163 Cb 0.43 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3kdi h LYS 163 CO 0.07 0.72 0.11 1.98 -2.27 0.00 0.00 179.45 180.06 3kdi h MET 164 N 1.12 0.30 0.09 1.90 4.05 -1.10 -0.39 114.93 120.90 3kdi h MET 164 Ca 0.35 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.73 3kdi h MET 164 Cb 0.01 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3kdi h MET 164 CO -0.10 0.29 -0.04 0.35 0.23 0.00 0.00 176.91 177.63 3kdi h PHE 165 N 0.23 -0.12 -0.36 1.39 3.57 -0.49 -1.92 116.94 119.24 3kdi h PHE 165 Ca 0.07 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kdi h PHE 165 Cb 0.08 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3kdi h PHE 165 CO -0.03 0.00 0.04 0.28 -2.23 0.00 0.00 178.31 176.37 3kdi h VAL 166 N -0.21 1.25 -0.87 1.41 2.07 -1.05 -2.10 116.25 116.75 3kdi h VAL 166 Ca -0.01 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3kdi h VAL 166 Cb 0.17 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3kdi h VAL 166 CO 0.02 0.30 0.57 0.44 0.02 0.00 0.00 177.57 178.92 3kdi h ASP 167 N 0.45 0.84 -0.35 0.57 5.19 -1.08 0.01 116.42 122.06 3kdi h ASP 167 Ca 0.11 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 3kdi h ASP 167 Cb 0.39 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3kdi h ASP 167 CO 0.01 0.54 0.14 0.74 -3.12 0.00 0.00 179.24 177.55 3kdi h THR 168 N 0.95 1.19 0.40 0.35 2.02 -0.77 0.19 112.91 117.24 3kdi h THR 168 Ca 0.38 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3kdi h THR 168 Cb 0.24 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3kdi h THR 168 CO -0.14 0.20 -0.19 0.58 0.37 0.00 0.00 175.52 176.34 3kdi h VAL 169 N 0.41 0.61 -0.62 3.16 2.07 -0.74 -0.67 116.25 120.47 3kdi h VAL 169 Ca 0.12 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3kdi h VAL 169 Cb 0.18 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3kdi h VAL 169 CO -0.01 0.01 0.37 0.58 0.02 0.00 0.00 177.57 178.54 3kdi h VAL 170 N -0.56 1.05 -0.44 2.57 2.07 -0.91 -0.05 116.25 119.97 3kdi h VAL 170 Ca -0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kdi h VAL 170 Cb 0.43 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3kdi h VAL 170 CO 0.09 0.13 0.27 0.50 0.02 0.00 0.00 177.57 178.58 3kdi h LYS 171 N 0.72 0.59 -0.57 1.57 1.63 -0.55 -0.56 116.57 119.41 3kdi h LYS 171 Ca 0.26 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3kdi h LYS 171 Cb 0.06 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 3kdi h LYS 171 CO -0.12 0.43 0.37 -0.07 -3.45 0.00 0.00 179.45 176.61 3kdi h LEU 172 N 0.58 0.63 -0.75 5.20 3.38 -0.55 -1.31 115.31 122.49 3kdi h LEU 172 Ca 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kdi h LEU 172 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3kdi h LEU 172 CO -0.03 0.45 0.50 0.78 0.09 0.00 0.00 178.44 180.23 3kdi h ASN 173 N 0.75 0.87 -0.17 -0.43 2.35 -0.68 -1.28 115.58 116.99 3kdi h ASN 173 Ca 0.21 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 3kdi h ASN 173 Cb -0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3kdi h ASN 173 CO -0.06 0.63 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.93 3kdi h LEU 174 N 1.02 0.72 -0.41 1.61 3.38 -0.69 0.14 115.31 121.09 3kdi h LEU 174 Ca 0.28 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kdi h LEU 174 Cb -0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3kdi h LEU 174 CO -0.06 1.00 0.05 1.56 0.09 0.00 0.00 178.44 181.09 3kdi h GLN 175 N 0.57 0.68 -0.52 1.13 4.20 -1.11 0.11 115.11 120.16 3kdi h GLN 175 Ca 0.06 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3kdi h GLN 175 Cb 0.87 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 3kdi h GLN 175 CO 0.08 0.73 0.00 -0.22 -0.67 0.00 0.00 178.83 178.75 3kdi h LYS 176 N 0.53 0.89 -0.21 1.46 3.64 -0.95 -1.12 116.57 120.81 3kdi h LYS 176 Ca 0.12 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3kdi h LYS 176 Cb 0.39 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3kdi h LYS 176 CO 0.01 0.88 0.01 1.25 -2.27 0.00 0.00 179.45 179.34 3kdi h LEU 177 N 0.82 -0.05 -1.19 5.20 5.85 -0.55 -0.97 115.31 124.42 3kdi h LEU 177 Ca 0.16 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.01 3kdi h LEU 177 Cb 0.49 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3kdi h LEU 177 CO 0.02 0.00 0.58 1.23 -0.34 0.00 0.00 178.44 179.93 3kdi h GLY 178 N 0.08 1.30 1.08 3.75 0.00 -0.19 -0.40 103.07 108.70 3kdi h GLY 178 Ca 0.10 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 3kdi h GLY 178 CO -0.15 0.20 -0.62 -2.08 0.00 0.00 0.00 176.54 173.89 3kdi h VAL 179 N 0.89 1.30 -0.17 4.60 2.07 -0.76 -2.62 116.25 121.55 3kdi h VAL 179 Ca 0.42 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3kdi h VAL 179 Cb 0.41 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3kdi h VAL 179 CO -0.18 0.58 0.03 0.00 0.02 0.00 0.00 177.57 178.02 3kdi h ALA 180 N 0.57 0.17 -0.26 1.67 0.00 -0.53 -0.73 119.26 120.16 3kdi h ALA 180 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kdi h ALA 180 Cb 1.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kdi h ALA 180 CO 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.96 3kdi h ALA 181 N 1.12 1.49 0.00 0.00 0.00 -1.09 -1.93 119.26 118.86 3kdi h ALA 181 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kdi h ALA 181 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kdi h ALA 181 CO -0.10 0.37 -1.52 0.25 0.00 0.00 0.00 179.25 178.24 3kdi n THR 182 N -4.31 0.04 0.00 0.00 -2.24 -0.99 -4.77 114.28 102.00 3kdi n THR 182 Ca 0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3kdi n THR 182 Cb 0.23 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3kdi n THR 182 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kdi n SER 183 N -1.98 1.97 -4.89 3.42 7.64 -0.29 -5.09 113.62 114.41 3kdi n SER 183 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 3kdi n SER 183 Cb 0.47 0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 3kdi n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdi s ALA 184 N -1.47 3.42 0.96 -0.43 0.00 -0.73 -5.04 121.76 118.47 3kdi s ALA 184 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 3kdi s ALA 184 Cb 0.00 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.57 3kdi s ALA 184 CO 0.00 0.01 0.39 -2.30 0.00 0.00 0.00 175.76 173.86 3kdi n PRO 185 N -1.33 -0.34 -0.79 0.00 -0.02 -1.26 -4.79 135.00 126.46 3kdi n PRO 185 Ca 0.01 -0.06 0.08 0.00 -2.02 0.00 0.00 63.50 61.51 3kdi n PRO 185 Cb 0.54 -1.85 0.39 0.00 -0.02 0.00 0.00 33.50 32.56 3kdi n PRO 185 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3kdi n MET 186 N -1.70 4.46 0.00 -0.52 2.81 -1.26 -4.99 117.12 115.92 3kdi n MET 186 Ca 0.06 -3.05 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 3kdi n MET 186 Cb 0.54 -2.13 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 3kdi n MET 186 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09