#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku n LEU 2 N 0.00 0.25 0.00 0.99 4.77 -1.26 -4.77 117.00 116.98 3fku n LEU 2 Ca 0.00 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3fku n LEU 2 Cb 0.00 -0.25 0.49 0.00 -2.33 0.00 0.00 43.42 41.33 3fku n LEU 2 CO 0.00 -0.51 0.79 0.49 -1.33 0.00 0.00 177.39 176.83 3fku n PHE 3 N -2.74 0.00 -0.91 -1.77 3.01 -1.26 -4.89 117.46 108.90 3fku n PHE 3 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3fku n PHE 3 Cb 0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 3fku n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fku n GLY 4 N 0.31 0.60 0.12 1.37 0.00 -1.26 -4.91 105.19 101.42 3fku n GLY 4 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3fku n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku n ALA 5 N 0.72 1.02 -2.29 4.61 0.00 -1.26 -2.56 120.51 120.74 3fku n ALA 5 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 3fku n ALA 5 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 3fku n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fku s ILE 6 N -2.54 3.73 -1.17 0.00 1.01 -1.26 -1.76 121.20 119.21 3fku s ILE 6 Ca -0.34 1.20 -0.06 0.00 0.00 0.00 0.00 60.65 61.45 3fku s ILE 6 Cb 0.10 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.85 3fku s ILE 6 CO 0.48 0.06 0.33 0.00 0.00 0.00 0.00 174.94 175.81 3fku n ALA 7 N 4.46 -0.97 -2.00 9.38 0.00 -1.18 -4.36 120.51 125.84 3fku n ALA 7 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fku n ALA 7 Cb 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3fku n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fku n GLY 8 N -1.05 2.35 0.11 0.00 0.00 -1.00 -4.96 105.19 100.64 3fku n GLY 8 Ca -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 3fku n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3fku h PHE 9 N 0.00 0.00 -2.65 1.61 -5.15 -1.48 -3.34 116.94 105.93 3fku h PHE 9 Ca 0.00 -0.00 -0.65 0.00 -0.20 0.00 0.00 57.97 57.12 3fku h PHE 9 Cb 0.00 -0.00 -0.16 0.00 0.22 0.00 0.00 35.95 36.01 3fku h PHE 9 CO 0.00 0.74 0.52 0.42 -2.00 0.00 0.00 178.31 177.99 3fku s ILE 10 N -3.32 4.48 0.31 0.88 1.01 -0.72 -4.22 121.20 119.62 3fku s ILE 10 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.03 3fku s ILE 10 Cb 0.12 -4.67 0.31 0.00 0.01 0.00 0.00 42.46 38.23 3fku s ILE 10 CO 0.78 -1.41 1.69 -0.33 0.00 0.00 0.00 174.94 175.67 3fku h GLU 11 N 9.37 0.38 -1.60 2.79 4.39 -1.82 -3.13 114.58 124.96 3fku h GLU 11 Ca -0.21 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.58 3fku h GLU 11 Cb 1.06 -0.09 -0.22 0.00 -0.10 0.00 0.00 28.75 29.41 3fku h GLU 11 CO 1.16 0.25 0.59 0.20 -1.16 0.00 0.00 179.01 180.04 3fku s GLY 12 N -3.98 -0.26 0.87 -3.84 0.00 -1.26 -4.49 107.32 94.36 3fku s GLY 12 Ca -0.11 1.95 -0.12 0.00 0.00 0.00 0.00 44.72 46.44 3fku s GLY 12 CO 0.79 0.92 1.10 -0.32 0.00 0.00 0.00 173.10 175.59 3fku s GLY 13 N -1.33 1.61 -0.24 0.20 0.00 -1.26 -5.03 107.32 101.27 3fku s GLY 13 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.47 3fku s GLY 13 CO -0.01 0.29 0.02 -0.98 0.00 0.00 0.00 173.10 172.43 3fku s TRP 14 N -3.05 3.04 0.34 1.90 0.51 -1.26 -4.94 118.94 115.47 3fku s TRP 14 Ca 0.63 -0.66 0.12 0.00 -2.12 0.00 0.00 56.10 54.06 3fku s TRP 14 Cb -0.16 -2.18 0.93 0.00 -0.81 0.00 0.00 33.47 31.25 3fku s TRP 14 CO 0.56 -0.45 1.74 1.96 -0.51 0.00 0.00 176.95 180.25 3fku h GLN 15 N 8.19 0.53 -0.93 4.98 1.08 -2.05 -2.95 115.11 123.96 3fku h GLN 15 Ca -0.39 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 3fku h GLN 15 Cb 1.17 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.43 3fku h GLN 15 CO 0.59 0.35 0.55 0.78 -0.95 0.00 0.00 178.83 180.15 3fku h GLY 16 N 0.55 1.36 -4.14 3.46 0.00 -2.04 -3.41 103.07 98.84 3fku h GLY 16 Ca 0.63 -0.58 -0.52 0.00 0.00 0.00 0.00 47.33 46.86 3fku h GLY 16 CO -0.42 0.56 0.43 -0.29 0.00 0.00 0.00 176.54 176.81 3fku s MET 17 N -5.94 4.62 -0.00 4.80 -2.45 -1.11 -4.95 119.30 114.26 3fku s MET 17 Ca -0.13 1.59 0.00 0.00 -1.25 0.00 0.00 55.69 55.91 3fku s MET 17 Cb 0.17 -3.34 0.00 0.00 1.25 0.00 0.00 34.83 32.92 3fku s MET 17 CO 0.82 0.10 0.78 1.33 1.05 0.00 0.00 175.02 179.10 3fku n VAL 18 N 2.78 0.01 -0.04 10.11 0.24 -1.26 -4.89 118.33 125.28 3fku n VAL 18 Ca 0.03 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 62.11 3fku n VAL 18 Cb 0.48 0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 33.44 3fku n VAL 18 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3fku h ASP 19 N 0.00 0.23 -0.81 -1.34 3.32 -1.97 -3.50 116.42 112.35 3fku h ASP 19 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 3fku h ASP 19 Cb 1.22 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3fku h ASP 19 CO 0.00 1.66 0.00 0.61 -1.72 0.00 0.00 179.24 179.79 3fku n GLY 20 N 1.71 2.98 0.13 2.75 0.00 -1.26 -5.07 105.19 106.43 3fku n GLY 20 Ca -0.31 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3fku n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fku h TRP 21 N 0.62 0.68 -3.05 1.61 6.55 -1.92 -3.48 115.95 116.96 3fku h TRP 21 Ca 0.00 -0.49 -0.42 0.00 0.95 0.00 0.00 58.89 58.92 3fku h TRP 21 Cb 0.00 -0.03 -0.15 0.00 -0.86 0.00 0.00 29.16 28.13 3fku h TRP 21 CO 0.00 1.54 -0.73 0.71 -1.05 0.00 0.00 178.44 178.91 3fku s TYR 22 N -2.60 1.60 0.00 0.49 1.51 -1.26 -5.08 117.35 112.01 3fku s TYR 22 Ca -0.12 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 3fku s TYR 22 Cb 0.06 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 3fku s TYR 22 CO 0.87 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 176.01 3fku n GLY 23 N -0.26 1.17 3.29 0.71 0.00 -1.26 -1.09 105.19 107.75 3fku n GLY 23 Ca -0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3fku n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fku s TYR 24 N -1.03 0.19 -0.30 1.61 1.51 -0.86 -4.87 117.35 113.60 3fku s TYR 24 Ca 0.00 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 3fku s TYR 24 Cb 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 41.96 41.98 3fku s TYR 24 CO 0.00 -0.65 0.24 -1.58 -1.11 0.00 0.00 175.55 172.45 3fku s HIS 25 N -3.90 -0.10 0.84 2.71 2.46 -1.26 -1.99 115.29 114.05 3fku s HIS 25 Ca 0.10 -0.57 -0.11 0.00 0.47 0.00 0.00 55.06 54.95 3fku s HIS 25 Cb 0.04 -0.64 0.13 0.00 -0.13 0.00 0.00 32.58 31.98 3fku s HIS 25 CO -0.06 -0.89 1.18 -3.38 -2.47 0.00 0.00 174.74 169.12 3fku s HIS 26 N 2.11 2.18 -0.30 3.88 -3.43 -1.15 -4.95 115.29 113.62 3fku s HIS 26 Ca 0.10 0.36 -0.16 0.00 -0.80 0.00 0.00 55.06 54.56 3fku s HIS 26 Cb -0.15 -3.63 0.18 0.00 -1.43 0.00 0.00 32.58 27.54 3fku s HIS 26 CO -0.30 -2.06 1.10 0.45 -2.00 0.00 0.00 174.74 171.93 3fku s SER 27 N -4.72 -0.39 0.00 7.38 0.15 -1.26 -3.67 113.70 111.19 3fku s SER 27 Ca 0.67 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.82 3fku s SER 27 Cb -0.07 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 3fku s SER 27 CO 0.49 -0.07 0.00 -0.46 1.20 0.00 0.00 173.24 174.40 3fku n ASN 28 N 4.90 0.01 0.15 5.45 6.94 -1.23 -5.00 115.26 126.48 3fku n ASN 28 Ca -0.08 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.53 3fku n ASN 28 Cb 0.54 0.00 0.48 0.00 -2.36 0.00 0.00 39.78 38.43 3fku n ASN 28 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3fku h GLU 29 N 0.00 0.20 0.00 -3.83 4.39 -1.96 -3.40 114.58 109.98 3fku h GLU 29 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3fku h GLU 29 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3fku h GLU 29 CO 0.00 0.25 0.00 1.04 -1.16 0.00 0.00 179.01 179.14 3fku n GLN 30 N -4.39 0.00 -1.46 2.33 6.02 -1.26 -5.08 117.38 113.54 3fku n GLN 30 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 3fku n GLN 30 Cb 0.18 -0.05 0.20 0.00 1.02 0.00 0.00 30.24 31.59 3fku n GLN 30 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3fku s GLY 31 N -0.89 1.65 -0.38 1.08 0.00 -1.26 -5.07 107.32 102.46 3fku s GLY 31 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 3fku s GLY 31 CO 0.00 -0.16 1.10 -1.26 0.00 0.00 0.00 173.10 172.78 3fku n SER 32 N -4.21 -1.80 -3.67 1.64 2.88 -1.26 -3.47 113.62 103.74 3fku n SER 32 Ca 0.12 -1.96 -0.07 0.00 -1.33 0.00 0.00 58.87 55.63 3fku n SER 32 Cb 0.59 1.00 -0.02 0.00 -0.75 0.00 0.00 64.21 65.04 3fku n SER 32 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fku s GLY 33 N -0.16 -0.32 0.54 0.46 0.00 -1.24 -5.04 107.32 101.56 3fku s GLY 33 Ca 0.27 0.28 -0.15 0.00 0.00 0.00 0.00 44.72 45.12 3fku s GLY 33 CO -0.12 0.08 0.99 -0.19 0.00 0.00 0.00 173.10 173.86 3fku s TYR 34 N -3.49 3.50 -0.30 1.90 1.51 -1.26 -2.93 117.35 116.28 3fku s TYR 34 Ca 0.08 1.40 -0.09 0.00 -1.01 0.00 0.00 57.07 57.45 3fku s TYR 34 Cb -0.02 -2.76 0.18 0.00 -0.11 0.00 0.00 41.96 39.25 3fku s TYR 34 CO -0.02 -0.44 0.96 0.00 -1.11 0.00 0.00 175.55 174.94 3fku s ALA 35 N -2.77 -3.42 1.11 3.71 0.00 -0.84 -4.99 121.76 114.55 3fku s ALA 35 Ca 0.57 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.80 3fku s ALA 35 Cb -0.10 -2.58 0.24 0.00 0.00 0.00 0.00 23.12 20.68 3fku s ALA 35 CO 0.38 -1.70 1.07 0.00 0.00 0.00 0.00 175.76 175.51 3fku s ALA 36 N 2.93 0.40 -0.38 0.00 0.00 -1.26 -2.03 121.76 121.42 3fku s ALA 36 Ca 0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 3fku s ALA 36 Cb -0.08 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3fku s ALA 36 CO -0.17 -3.35 0.19 0.34 0.00 0.00 0.00 175.76 172.77 3fku s ASP 37 N -3.30 5.46 0.43 0.00 3.68 -0.25 -4.78 116.67 117.91 3fku s ASP 37 Ca 0.67 -1.42 0.30 0.00 2.13 0.00 0.00 52.55 54.23 3fku s ASP 37 Cb -0.18 -1.92 1.23 0.00 -1.45 0.00 0.00 42.92 40.60 3fku s ASP 37 CO 0.59 -0.45 1.87 0.11 0.13 0.00 0.00 175.17 177.42 3fku h LYS 38 N 8.29 0.00 0.04 4.34 6.56 -1.95 -2.86 116.57 130.98 3fku h LYS 38 Ca -0.22 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.12 3fku h LYS 38 Cb 1.08 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.71 3fku h LYS 38 CO 0.69 0.00 -1.37 1.49 -2.06 0.00 0.00 179.45 178.19 3fku h GLU 39 N 0.00 0.08 0.10 3.15 4.57 -1.97 -3.06 114.58 117.44 3fku h GLU 39 Ca 0.00 -0.13 -0.27 0.00 -1.18 0.00 0.00 59.36 57.78 3fku h GLU 39 Cb 0.43 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3fku h GLU 39 CO 0.00 1.06 -1.17 0.66 -1.18 0.00 0.00 179.01 178.39 3fku h SER 40 N -0.72 0.55 -0.12 1.04 4.64 -1.97 -3.01 113.55 113.96 3fku h SER 40 Ca -0.35 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.44 3fku h SER 40 Cb 1.48 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3fku h SER 40 CO -0.12 1.38 0.06 0.74 -0.87 0.00 0.00 176.83 178.01 3fku h THR 41 N 0.16 1.12 -0.96 2.95 2.02 -1.70 -2.92 112.91 113.58 3fku h THR 41 Ca -0.13 -0.35 0.17 0.00 0.77 0.00 0.00 66.41 66.87 3fku h THR 41 Cb 1.86 1.14 -0.09 0.00 -1.74 0.00 0.00 68.15 69.32 3fku h THR 41 CO 0.20 0.11 0.60 -0.61 0.37 0.00 0.00 175.52 176.19 3fku h GLN 42 N 0.06 0.68 -0.13 6.66 5.75 -1.57 0.23 115.11 126.78 3fku h GLN 42 Ca 0.04 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3fku h GLN 42 Cb 0.12 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3fku h GLN 42 CO -0.00 0.45 -0.12 -0.22 -2.65 0.00 0.00 178.83 176.28 3fku h LYS 43 N 0.70 0.20 0.18 1.69 3.64 -1.37 -0.95 116.57 120.65 3fku h LYS 43 Ca 0.51 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 3fku h LYS 43 Cb 0.86 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3fku h LYS 43 CO -0.27 0.34 -0.09 0.00 -2.27 0.00 0.00 179.45 177.16 3fku h ALA 44 N 1.68 -0.24 -0.81 5.00 0.00 -0.49 -2.50 119.26 121.91 3fku h ALA 44 Ca 0.04 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3fku h ALA 44 Cb 0.35 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3fku h ALA 44 CO 0.02 -0.36 0.53 0.82 0.00 0.00 0.00 179.25 180.26 3fku h ILE 45 N -0.79 0.99 0.04 0.00 2.04 -1.14 0.26 117.51 118.90 3fku h ILE 45 Ca -0.02 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3fku h ILE 45 Cb 0.52 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3fku h ILE 45 CO 0.04 0.15 -0.22 0.44 0.00 0.00 0.00 178.15 178.56 3fku h ASP 46 N 0.81 -0.64 0.18 1.72 3.32 -1.25 0.99 116.42 121.54 3fku h ASP 46 Ca 0.36 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.44 3fku h ASP 46 Cb 0.36 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3fku h ASP 46 CO -0.14 -0.30 -0.23 1.23 -1.72 0.00 0.00 179.24 178.08 3fku h GLY 47 N -0.37 0.12 0.13 2.75 0.00 -0.13 -0.15 103.07 105.41 3fku h GLY 47 Ca 0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 3fku h GLY 47 CO -0.18 0.07 -0.48 -2.08 0.00 0.00 0.00 176.54 173.87 3fku h VAL 48 N 0.10 1.51 -0.71 4.60 2.07 -0.89 -2.71 116.25 120.22 3fku h VAL 48 Ca 0.02 -2.34 0.11 0.00 0.82 0.00 0.00 66.70 65.31 3fku h VAL 48 Cb 0.48 3.07 -0.13 0.00 -1.52 0.00 0.00 31.29 33.19 3fku h VAL 48 CO 0.03 0.57 -0.37 0.74 0.02 0.00 0.00 177.57 178.56 3fku h THR 49 N -0.87 0.11 0.00 2.57 2.02 -0.63 0.26 112.91 116.36 3fku h THR 49 Ca -0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3fku h THR 49 Cb 1.20 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3fku h THR 49 CO -0.02 0.00 -0.08 0.78 0.37 0.00 0.00 175.52 176.57 3fku h ASN 50 N -0.13 0.00 -0.21 4.18 2.35 -1.14 -1.23 115.58 119.41 3fku h ASN 50 Ca 0.25 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.79 3fku h ASN 50 Cb 0.56 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.94 3fku h ASN 50 CO -0.77 0.08 -0.69 0.50 -1.65 0.00 0.00 177.43 174.90 3fku h LYS 51 N 0.00 0.83 0.00 0.81 3.64 -0.21 -2.92 116.57 118.73 3fku h LYS 51 Ca -0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 3fku h LYS 51 Cb 0.38 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3fku h LYS 51 CO 0.01 1.23 -0.66 -0.39 -2.27 0.00 0.00 179.45 177.38 3fku h VAL 52 N 0.60 0.00 0.00 2.00 -1.51 -0.65 -2.78 116.25 113.91 3fku h VAL 52 Ca -0.03 -0.62 -0.07 0.00 -1.23 0.00 0.00 66.70 64.75 3fku h VAL 52 Cb 1.31 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 3fku h VAL 52 CO 0.15 0.00 -0.33 0.78 -1.23 0.00 0.00 177.57 176.94 3fku h ASN 53 N 0.00 0.00 0.77 4.19 -0.26 -1.34 -3.23 115.58 115.70 3fku h ASN 53 Ca 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.54 3fku h ASN 53 Cb 0.81 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 3fku h ASN 53 CO 0.00 0.33 -0.94 -1.28 -1.06 0.00 0.00 177.43 174.48 3fku h SER 54 N 0.00 0.14 0.50 5.81 0.87 -1.28 -2.97 113.55 116.62 3fku h SER 54 Ca -0.00 -0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.14 3fku h SER 54 Cb 0.96 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 3fku h SER 54 CO 0.04 1.00 -1.68 0.40 -0.53 0.00 0.00 176.83 176.07 3fku h ILE 55 N 0.05 0.90 -0.02 2.23 2.04 -1.65 -3.03 117.51 118.03 3fku h ILE 55 Ca -0.04 -2.73 0.03 0.00 1.00 0.00 0.00 64.86 63.13 3fku h ILE 55 Cb 1.62 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 40.11 3fku h ILE 55 CO 0.13 0.55 -0.26 0.40 0.00 0.00 0.00 178.15 178.98 3fku h ILE 56 N 0.01 0.41 -0.08 -0.67 2.04 -1.66 -2.79 117.51 114.77 3fku h ILE 56 Ca -0.27 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3fku h ILE 56 Cb 2.00 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3fku h ILE 56 CO 0.08 0.00 0.08 0.44 0.00 0.00 0.00 178.15 178.76 3fku h ASP 57 N -0.39 0.00 -0.06 1.72 3.45 -1.59 -2.39 116.42 117.16 3fku h ASP 57 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3fku h ASP 57 Cb 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3fku h ASP 57 CO -0.24 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.72 3fku n LYS 58 N -3.88 1.46 -2.63 3.56 4.01 -1.06 -3.80 118.16 115.82 3fku n LYS 58 Ca -0.01 -0.67 -0.02 0.00 -0.51 0.00 0.00 58.31 57.09 3fku n LYS 58 Cb 0.18 -1.42 0.05 0.00 -0.51 0.00 0.00 35.03 33.33 3fku n LYS 58 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3fku n MET 59 N -0.14 1.80 -0.08 1.97 2.81 -0.90 -4.62 117.12 117.96 3fku n MET 59 Ca 0.18 -3.47 -0.12 0.00 -1.81 0.00 0.00 57.70 52.49 3fku n MET 59 Cb 0.25 -1.56 -0.15 0.00 -0.71 0.00 0.00 33.22 31.05 3fku n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3fku n ASN 60 N -0.53 0.59 -2.80 7.83 5.03 -1.24 -4.40 115.26 119.74 3fku n ASN 60 Ca 0.11 0.08 -0.33 0.00 0.87 0.00 0.00 54.58 55.30 3fku n ASN 60 Cb 0.84 0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 40.06 3fku n ASN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3fku n THR 61 N -2.93 3.80 -1.39 3.41 -1.04 -1.26 -4.95 114.28 109.93 3fku n THR 61 Ca -0.32 -3.74 0.00 0.00 -2.04 0.00 0.00 64.05 57.95 3fku n THR 61 Cb 1.11 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 3fku n THR 61 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3fku n GLN 62 N 0.46 0.77 -3.77 -2.82 7.27 -1.26 -5.07 117.38 112.96 3fku n GLN 62 Ca 0.52 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 57.23 3fku n GLN 62 Cb 0.40 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.95 3fku n GLN 62 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 3fku s PHE 63 N 0.01 3.29 -0.22 3.69 5.36 -1.26 -5.08 117.98 123.77 3fku s PHE 63 Ca 0.00 0.14 -0.28 0.00 -0.96 0.00 0.00 56.93 55.83 3fku s PHE 63 Cb 0.00 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 3fku s PHE 63 CO 0.00 0.08 0.98 -1.21 -1.46 0.00 0.00 175.22 173.60 3fku s GLU 64 N 0.84 4.26 -0.53 10.12 0.41 -1.26 -5.03 118.70 127.52 3fku s GLU 64 Ca 0.06 1.25 -0.13 0.00 -0.41 0.00 0.00 54.97 55.73 3fku s GLU 64 Cb -0.13 -3.63 0.13 0.00 -1.78 0.00 0.00 34.13 28.72 3fku s GLU 64 CO 0.03 -0.56 0.45 0.00 -0.49 0.00 0.00 175.26 174.69 3fku s ALA 65 N 2.95 3.57 0.08 5.21 0.00 -1.26 -5.07 121.76 127.25 3fku s ALA 65 Ca 0.42 -2.58 0.03 0.00 0.00 0.00 0.00 51.96 49.84 3fku s ALA 65 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3fku s ALA 65 CO 0.08 -1.99 0.06 0.14 0.00 0.00 0.00 175.76 174.05 3fku s VAL 66 N 1.44 4.43 0.25 0.00 -7.23 -1.26 -5.10 120.40 112.92 3fku s VAL 66 Ca 0.05 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.16 3fku s VAL 66 Cb -0.28 -3.13 -0.09 0.00 0.56 0.00 0.00 36.38 33.44 3fku s VAL 66 CO 0.01 0.12 0.81 -0.83 -0.31 0.00 0.00 175.10 174.90 3fku s GLY 67 N -2.40 2.75 -0.01 2.32 0.00 -1.26 -5.08 107.32 103.65 3fku s GLY 67 Ca 0.29 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.34 3fku s GLY 67 CO 0.21 0.76 -0.00 0.50 0.00 0.00 0.00 173.10 174.57 3fku s ARG 68 N -1.82 0.06 -0.17 2.90 0.52 -1.26 -5.15 118.95 114.03 3fku s ARG 68 Ca 0.44 0.02 -0.07 0.00 -0.52 0.00 0.00 55.73 55.60 3fku s ARG 68 Cb -0.19 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 3fku s ARG 68 CO 0.23 -0.03 0.05 -2.00 0.02 0.00 0.00 175.30 173.58 3fku s GLU 69 N 0.24 3.84 0.17 3.54 2.56 -1.26 -5.10 118.70 122.69 3fku s GLU 69 Ca -0.02 -0.35 0.11 0.00 0.00 0.00 0.00 54.97 54.71 3fku s GLU 69 Cb -0.03 -3.15 -0.04 0.00 2.00 0.00 0.00 34.13 32.91 3fku s GLU 69 CO -0.01 0.34 -0.25 -0.06 -0.56 0.00 0.00 175.26 174.72 3fku s PHE 70 N 0.18 2.30 0.91 5.30 0.40 -1.26 -5.12 117.98 120.68 3fku s PHE 70 Ca 0.04 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 3fku s PHE 70 Cb -0.12 -1.17 0.13 0.00 0.51 0.00 0.00 43.02 42.37 3fku s PHE 70 CO 0.01 0.44 1.09 1.21 0.70 0.00 0.00 175.22 178.68 3fku s ASN 71 N -2.46 3.43 0.00 1.36 3.84 -1.26 -4.98 114.94 114.86 3fku s ASN 71 Ca 0.18 1.38 0.28 0.00 0.21 0.00 0.00 52.86 54.92 3fku s ASN 71 Cb -0.09 -2.06 1.07 0.00 -0.55 0.00 0.00 41.25 39.62 3fku s ASN 71 CO 0.08 -2.65 1.77 -3.20 -2.79 0.00 0.00 177.10 170.31 3fku n ASN 72 N -3.88 0.57 -0.08 -4.21 4.05 -1.26 -3.00 115.26 107.45 3fku n ASN 72 Ca 0.07 -0.57 0.03 0.00 0.45 0.00 0.00 54.58 54.56 3fku n ASN 72 Cb 0.56 -0.03 0.06 0.00 1.23 0.00 0.00 39.78 41.60 3fku n ASN 72 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3fku n LEU 73 N -0.95 2.21 -1.42 1.20 4.77 -1.26 -4.46 117.00 117.09 3fku n LEU 73 Ca 0.13 -2.34 -0.10 0.00 -0.03 0.00 0.00 56.01 53.66 3fku n LEU 73 Cb 0.30 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.40 3fku n LEU 73 CO 0.25 0.58 0.69 -0.62 -1.33 0.00 0.00 177.39 176.96 3fku n GLU 74 N -0.71 2.17 0.14 3.23 1.02 -1.16 -4.83 120.64 120.49 3fku n GLU 74 Ca 0.06 -3.35 0.11 0.00 -0.02 0.00 0.00 57.16 53.96 3fku n GLU 74 Cb 0.39 -1.93 0.63 0.00 -0.02 0.00 0.00 31.44 30.51 3fku n GLU 74 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3fku h ARG 75 N 1.26 0.07 0.03 3.49 9.65 -1.78 -0.88 114.38 126.22 3fku h ARG 75 Ca 0.29 -0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.87 3fku h ARG 75 Cb 1.59 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 30.12 3fku h ARG 75 CO 0.56 0.05 -1.66 0.07 2.80 0.00 0.00 179.97 181.79 3fku h ARG 76 N 0.07 0.06 0.00 0.20 0.11 -1.93 -2.11 114.38 110.78 3fku h ARG 76 Ca 0.10 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3fku h ARG 76 Cb 0.33 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.45 3fku h ARG 76 CO -0.01 0.71 0.00 0.44 0.10 0.00 0.00 179.97 181.21 3fku n ILE 77 N -3.18 0.53 -0.20 0.08 -5.35 -1.11 -0.44 119.36 109.69 3fku n ILE 77 Ca -0.17 -0.12 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 3fku n ILE 77 Cb 1.04 -0.68 0.02 0.00 -1.74 0.00 0.00 39.64 38.27 3fku n ILE 77 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3fku h GLU 78 N 0.00 1.03 -0.13 6.28 4.81 -1.05 -2.85 114.58 122.68 3fku h GLU 78 Ca 0.00 -0.35 -0.21 0.00 -0.13 0.00 0.00 59.36 58.67 3fku h GLU 78 Cb 0.61 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3fku h GLU 78 CO 0.00 1.03 -0.76 -0.97 -0.73 0.00 0.00 179.01 177.58 3fku h ASN 79 N 0.91 0.89 -0.45 1.04 -1.24 -0.94 -2.16 115.58 113.63 3fku h ASN 79 Ca 0.16 -0.65 0.04 0.00 0.71 0.00 0.00 56.30 56.56 3fku h ASN 79 Cb 0.59 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 3fku h ASN 79 CO 0.04 1.39 0.23 0.25 -1.29 0.00 0.00 177.43 178.05 3fku h LEU 80 N 0.45 0.34 -0.67 0.34 6.46 -0.83 -0.64 115.31 120.75 3fku h LEU 80 Ca -0.06 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.81 3fku h LEU 80 Cb 1.40 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 41.22 3fku h LEU 80 CO 0.16 0.24 0.33 -1.13 -0.62 0.00 0.00 178.44 177.41 3fku h ASN 81 N 0.46 0.43 0.65 1.25 -1.24 -1.51 -1.84 115.58 113.78 3fku h ASN 81 Ca 0.20 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 3fku h ASN 81 Cb 0.10 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.13 3fku h ASN 81 CO -0.13 0.26 -0.31 0.50 -1.29 0.00 0.00 177.43 176.45 3fku h LYS 82 N 0.58 -0.84 -0.51 6.67 1.63 -0.60 -2.84 116.57 120.66 3fku h LYS 82 Ca 0.33 0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.25 3fku h LYS 82 Cb 0.32 0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 32.08 3fku h LYS 82 CO -0.25 -0.52 0.18 0.87 -3.45 0.00 0.00 179.45 176.27 3fku h LYS 83 N -1.02 0.35 0.08 1.90 1.79 -1.13 -2.57 116.57 115.97 3fku h LYS 83 Ca -0.09 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3fku h LYS 83 Cb 0.71 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 3fku h LYS 83 CO 0.15 0.23 -0.33 1.98 -1.08 0.00 0.00 179.45 180.40 3fku h MET 84 N 0.36 -0.45 -0.91 3.15 4.05 -1.31 -0.52 114.93 119.29 3fku h MET 84 Ca 0.25 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 3fku h MET 84 Cb 0.27 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 3fku h MET 84 CO -0.25 -0.30 0.50 0.93 0.23 0.00 0.00 176.91 178.01 3fku h GLU 85 N -0.47 1.27 0.00 0.39 5.08 -1.35 0.59 114.58 120.09 3fku h GLU 85 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3fku h GLU 85 Cb 0.47 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fku h GLU 85 CO -0.17 0.93 0.00 -0.25 -1.00 0.00 0.00 179.01 178.51 3fku n ASP 86 N -4.33 0.00 -0.04 1.42 10.43 -0.98 -1.61 116.55 121.43 3fku n ASP 86 Ca 0.10 0.05 -0.22 0.00 2.57 0.00 0.00 54.79 57.29 3fku n ASP 86 Cb 0.10 -0.28 -0.13 0.00 1.84 0.00 0.00 41.12 42.65 3fku n ASP 86 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3fku h GLY 87 N 2.70 0.17 1.83 0.44 0.00 0.19 -2.99 103.07 105.41 3fku h GLY 87 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3fku h GLY 87 CO 0.00 0.39 -0.28 0.74 0.00 0.00 0.00 176.54 177.38 3fku h PHE 88 N -0.43 0.22 0.00 5.60 0.05 -1.19 0.10 116.94 121.28 3fku h PHE 88 Ca -0.38 -0.04 -0.08 0.00 3.82 0.00 0.00 57.97 61.29 3fku h PHE 88 Cb 1.69 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 39.57 3fku h PHE 88 CO 0.09 0.46 -0.37 -0.07 -0.18 0.00 0.00 178.31 178.25 3fku h LEU 89 N 0.18 0.00 0.34 1.54 3.38 -1.44 -0.15 115.31 119.16 3fku h LEU 89 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fku h LEU 89 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3fku h LEU 89 CO 0.04 0.37 -0.16 0.44 0.09 0.00 0.00 178.44 179.22 3fku h ASP 90 N 0.00 -0.39 -0.62 -0.43 3.32 -1.23 -2.69 116.42 114.39 3fku h ASP 90 Ca -0.00 -0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.05 3fku h ASP 90 Cb 0.71 0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.25 3fku h ASP 90 CO 0.05 0.07 -0.36 0.58 -1.72 0.00 0.00 179.24 177.86 3fku h VAL 91 N -1.05 0.14 0.00 -1.35 2.07 -0.72 0.13 116.25 115.48 3fku h VAL 91 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3fku h VAL 91 Cb 0.46 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3fku h VAL 91 CO 0.08 0.00 -0.09 -0.50 0.02 0.00 0.00 177.57 177.07 3fku h TRP 92 N -0.17 0.00 0.02 1.57 4.06 -1.16 0.38 115.95 120.66 3fku h TRP 92 Ca 0.23 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.12 3fku h TRP 92 Cb 0.56 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.72 3fku h TRP 92 CO -0.67 0.09 -0.25 1.15 -3.56 0.00 0.00 178.44 175.20 3fku h THR 93 N 0.00 1.60 0.70 1.49 2.02 -0.50 -2.89 112.91 115.34 3fku h THR 93 Ca -0.00 -2.10 -0.03 0.00 0.77 0.00 0.00 66.41 65.05 3fku h THR 93 Cb 0.47 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 3fku h THR 93 CO 0.01 0.57 -0.44 0.22 0.37 0.00 0.00 175.52 176.25 3fku h TYR 94 N -0.61 -1.18 -0.93 3.16 3.20 -0.70 0.10 116.97 120.01 3fku h TYR 94 Ca -0.04 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.07 3fku h TYR 94 Cb 1.07 0.42 -0.17 0.00 1.54 0.00 0.00 36.73 39.59 3fku h TYR 94 CO 0.20 -0.66 -0.00 0.09 -1.64 0.00 0.00 178.16 176.15 3fku n ASN 95 N -5.58 -0.13 -0.03 -2.11 5.03 0.11 -1.03 115.26 111.52 3fku n ASN 95 Ca -0.14 1.58 -0.13 0.00 0.87 0.00 0.00 54.58 56.76 3fku n ASN 95 Cb 0.46 -0.57 -0.11 0.00 -1.02 0.00 0.00 39.78 38.54 3fku n ASN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fku h ALA 96 N 1.85 0.00 -0.68 5.41 0.00 -1.18 -2.03 119.26 122.64 3fku h ALA 96 Ca 0.55 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3fku h ALA 96 Cb 1.12 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3fku h ALA 96 CO -0.88 -0.17 0.23 0.93 0.00 0.00 0.00 179.25 179.36 3fku h GLU 97 N -0.64 1.03 -0.31 0.00 5.08 -0.03 -1.42 114.58 118.29 3fku h GLU 97 Ca -0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3fku h GLU 97 Cb 0.65 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3fku h GLU 97 CO 0.00 0.87 0.06 1.25 -1.00 0.00 0.00 179.01 180.19 3fku h LEU 98 N 1.00 0.48 -0.81 1.33 6.46 -1.16 -2.42 115.31 120.18 3fku h LEU 98 Ca 0.22 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 3fku h LEU 98 Cb 0.26 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3fku h LEU 98 CO -0.01 0.60 0.12 0.25 -0.62 0.00 0.00 178.44 178.77 3fku h LEU 99 N 0.33 0.96 -0.30 2.25 5.85 -0.99 0.20 115.31 123.61 3fku h LEU 99 Ca 0.09 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fku h LEU 99 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3fku h LEU 99 CO 0.00 0.95 0.09 0.58 -0.34 0.00 0.00 178.44 179.73 3fku h VAL 100 N 0.96 1.20 0.35 1.05 2.07 -1.26 -2.57 116.25 118.05 3fku h VAL 100 Ca 0.20 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3fku h VAL 100 Cb 0.39 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3fku h VAL 100 CO 0.01 0.22 -0.17 -0.07 0.02 0.00 0.00 177.57 177.57 3fku h LEU 101 N 0.32 -0.40 -2.12 2.57 4.07 -1.08 0.38 115.31 119.05 3fku h LEU 101 Ca 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3fku h LEU 101 Cb 0.24 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 3fku h LEU 101 CO -0.00 -0.26 -0.01 0.24 -1.08 0.00 0.00 178.44 177.32 3fku h MET 102 N -0.50 0.00 0.03 1.13 2.86 -0.64 -2.28 114.93 115.53 3fku h MET 102 Ca -0.05 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.24 3fku h MET 102 Cb 0.38 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3fku h MET 102 CO 0.08 0.01 -2.12 -1.91 1.06 0.00 0.00 176.91 174.03 3fku n GLU 103 N -4.32 0.68 -0.33 1.72 4.07 -0.97 -2.95 120.64 118.54 3fku n GLU 103 Ca -0.03 0.18 0.12 0.00 -0.06 0.00 0.00 57.16 57.37 3fku n GLU 103 Cb 0.10 -1.64 0.30 0.00 -0.06 0.00 0.00 31.44 30.14 3fku n GLU 103 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3fku h ASN 104 N 0.02 0.61 0.34 4.31 2.35 0.03 0.11 115.58 123.34 3fku h ASN 104 Ca -0.45 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 3fku h ASN 104 Cb 2.06 0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.45 3fku h ASN 104 CO 0.03 0.18 -0.16 -0.08 -1.65 0.00 0.00 177.43 175.75 3fku h GLU 105 N 0.63 -0.44 0.00 0.81 4.81 -1.52 -3.09 114.58 115.78 3fku h GLU 105 Ca 0.56 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 3fku h GLU 105 Cb 0.92 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3fku h GLU 105 CO -0.42 -0.23 0.00 0.00 -0.73 0.00 0.00 179.01 177.63 3fku h ARG 106 N -0.55 0.00 -0.01 1.92 3.08 -1.20 -2.39 114.38 115.23 3fku h ARG 106 Ca -0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3fku h ARG 106 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 3fku h ARG 106 CO 0.08 0.00 -0.42 1.15 -1.07 0.00 0.00 179.97 179.70 3fku h THR 107 N 0.00 1.47 0.00 2.04 2.02 -0.77 -3.23 112.91 114.45 3fku h THR 107 Ca 0.00 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.21 3fku h THR 107 Cb 0.17 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3fku h THR 107 CO 0.00 0.56 0.00 0.18 0.37 0.00 0.00 175.52 176.63 3fku n LEU 108 N -4.36 0.00 -0.09 2.58 4.77 -0.90 -2.64 117.00 116.36 3fku n LEU 108 Ca -0.10 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.10 3fku n LEU 108 Cb 0.58 -0.42 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 3fku n LEU 108 CO 0.43 -0.19 -1.19 0.47 -1.33 0.00 0.00 177.39 175.58 3fku n ASP 109 N -1.42 2.01 -0.27 -1.43 8.00 -1.22 -3.72 116.55 118.51 3fku n ASP 109 Ca 0.05 0.01 0.03 0.00 0.71 0.00 0.00 54.79 55.60 3fku n ASP 109 Cb 0.16 -0.59 0.12 0.00 -0.02 0.00 0.00 41.12 40.79 3fku n ASP 109 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3fku h PHE 110 N -0.10 -0.30 -0.75 1.24 3.57 -1.51 0.67 116.94 119.75 3fku h PHE 110 Ca -0.54 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 60.97 3fku h PHE 110 Cb 1.89 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.85 3fku h PHE 110 CO 0.04 -0.31 0.25 0.45 -2.23 0.00 0.00 178.31 176.50 3fku h HIS 111 N 0.03 1.20 -0.58 0.41 3.86 -1.69 0.09 115.15 118.46 3fku h HIS 111 Ca 0.39 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 3fku h HIS 111 Cb 0.63 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3fku h HIS 111 CO -0.56 0.94 0.25 0.22 0.86 0.00 0.00 177.93 179.64 3fku h ASP 112 N 1.12 0.79 -0.74 2.45 1.82 -1.20 -1.78 116.42 118.87 3fku h ASP 112 Ca 0.25 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 3fku h ASP 112 Cb 0.29 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 3fku h ASP 112 CO -0.01 0.73 0.42 0.28 -1.61 0.00 0.00 179.24 179.05 3fku h SER 113 N 0.79 0.92 0.86 2.28 0.02 0.69 -2.39 113.55 116.72 3fku h SER 113 Ca 0.19 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3fku h SER 113 Cb 0.18 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3fku h SER 113 CO -0.02 0.73 -0.29 0.78 -1.14 0.00 0.00 176.83 176.90 3fku h ASN 114 N 1.05 0.00 -0.06 3.07 4.21 -0.64 -1.29 115.58 121.91 3fku h ASN 114 Ca 0.27 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.72 3fku h ASN 114 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3fku h ASN 114 CO -0.05 0.29 -0.18 0.58 -1.29 0.00 0.00 177.43 176.79 3fku h VAL 115 N 0.00 1.43 -0.27 2.81 2.07 -1.07 -3.10 116.25 118.12 3fku h VAL 115 Ca -0.00 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 3fku h VAL 115 Cb 0.79 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3fku h VAL 115 CO 0.04 0.43 0.02 0.50 0.02 0.00 0.00 177.57 178.58 3fku h LYS 116 N -0.28 0.46 -0.23 1.57 3.11 -1.29 -1.82 116.57 118.10 3fku h LYS 116 Ca -0.00 -0.13 -0.18 0.00 -2.81 0.00 0.00 60.65 57.52 3fku h LYS 116 Cb 0.79 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.97 3fku h LYS 116 CO 0.04 0.60 -0.58 -0.91 -2.81 0.00 0.00 179.45 175.78 3fku h ASN 117 N 0.25 0.82 -0.96 4.20 4.21 -1.38 0.13 115.58 122.85 3fku h ASN 117 Ca 0.08 -0.46 0.07 0.00 1.21 0.00 0.00 56.30 57.20 3fku h ASN 117 Cb 0.37 -0.24 -0.06 0.00 -1.12 0.00 0.00 38.32 37.27 3fku h ASN 117 CO 0.01 1.22 0.62 0.25 -1.29 0.00 0.00 177.43 178.24 3fku h LEU 118 N 0.55 0.96 -0.65 1.61 5.85 -1.59 0.37 115.31 122.41 3fku h LEU 118 Ca 0.00 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 3fku h LEU 118 Cb 1.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3fku h LEU 118 CO 0.12 0.61 -0.07 0.22 -0.34 0.00 0.00 178.44 178.97 3fku h TYR 119 N 1.08 1.08 0.01 1.25 3.20 -0.43 -1.93 116.97 121.23 3fku h TYR 119 Ca 0.42 -0.20 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 3fku h TYR 119 Cb 0.22 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3fku h TYR 119 CO -0.00 0.99 -0.90 -0.44 -1.64 0.00 0.00 178.16 176.17 3fku h ASP 120 N 0.88 0.06 -0.59 -2.11 5.19 -0.41 0.12 116.42 119.55 3fku h ASP 120 Ca 0.15 -0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.56 3fku h ASP 120 Cb 0.61 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.06 3fku h ASP 120 CO 0.04 0.93 0.32 0.50 -3.12 0.00 0.00 179.24 177.91 3fku h LYS 121 N 0.02 0.59 0.00 3.56 3.64 -0.18 0.46 116.57 124.65 3fku h LYS 121 Ca -0.02 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 3fku h LYS 121 Cb 1.58 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 3fku h LYS 121 CO 0.12 0.39 -0.54 0.28 -2.27 0.00 0.00 179.45 177.43 3fku h VAL 122 N 0.61 1.12 -0.02 2.00 2.07 -1.24 -2.46 116.25 118.32 3fku h VAL 122 Ca 0.26 -2.07 -0.15 0.00 0.82 0.00 0.00 66.70 65.56 3fku h VAL 122 Cb 0.15 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3fku h VAL 122 CO -0.17 0.53 -0.67 -0.09 0.02 0.00 0.00 177.57 177.19 3fku h ARG 123 N 0.00 0.08 0.07 1.57 2.43 -0.09 -3.01 114.38 115.43 3fku h ARG 123 Ca -0.01 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3fku h ARG 123 Cb 1.17 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3fku h ARG 123 CO 0.07 0.72 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.70 3fku h LEU 124 N 0.05 0.30 -0.54 3.80 3.38 -0.03 -3.33 115.31 118.94 3fku h LEU 124 Ca -0.01 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.09 3fku h LEU 124 Cb 1.19 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 3fku h LEU 124 CO 0.09 1.21 -0.52 1.56 0.09 0.00 0.00 178.44 180.87 3fku h GLN 125 N -0.57 -0.28 -4.73 1.13 4.20 -1.55 -3.32 115.11 110.00 3fku h GLN 125 Ca -0.08 0.02 -0.70 0.00 0.06 0.00 0.00 58.65 57.95 3fku h GLN 125 Cb 1.35 0.06 -0.19 0.00 0.30 0.00 0.00 27.48 28.99 3fku h GLN 125 CO 0.09 -0.19 -0.30 -0.51 -0.67 0.00 0.00 178.83 177.25 3fku s LEU 126 N -10.46 4.92 -0.11 1.46 1.43 -1.14 -4.90 118.68 109.89 3fku s LEU 126 Ca -0.14 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 3fku s LEU 126 Cb 0.10 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3fku s LEU 126 CO 0.63 -0.51 -0.18 0.54 0.23 0.00 0.00 176.35 177.07 3fku n ARG 127 N 5.41 0.35 0.00 1.70 1.74 -1.25 -4.55 116.66 120.06 3fku n ARG 127 Ca -0.09 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3fku n ARG 127 Cb 0.47 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3fku n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3fku n ASP 128 N -3.94 0.48 0.29 0.55 5.75 -1.26 -4.66 116.55 113.76 3fku n ASP 128 Ca -0.07 -1.05 0.18 0.00 -0.01 0.00 0.00 54.79 53.84 3fku n ASP 128 Cb 0.26 0.00 0.97 0.00 -1.03 0.00 0.00 41.12 41.32 3fku n ASP 128 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3fku h ASN 129 N 0.00 0.00 -5.17 -1.12 2.35 -1.94 -3.45 115.58 106.26 3fku h ASN 129 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3fku h ASN 129 Cb 0.34 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.57 3fku h ASN 129 CO 0.00 0.00 -0.43 0.00 -1.65 0.00 0.00 177.43 175.35 3fku s ALA 130 N -4.42 -0.10 1.00 -0.83 0.00 -1.26 -2.45 121.76 113.70 3fku s ALA 130 Ca -0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 3fku s ALA 130 Cb 0.14 0.44 0.18 0.00 0.00 0.00 0.00 23.12 23.87 3fku s ALA 130 CO 0.47 -0.48 1.05 1.63 0.00 0.00 0.00 175.76 178.44 3fku n LYS 131 N 0.01 -1.06 -3.61 0.00 5.02 0.37 -4.84 118.16 114.06 3fku n LYS 131 Ca -0.15 -1.62 -0.27 0.00 -2.02 0.00 0.00 58.31 54.25 3fku n LYS 131 Cb 0.62 -1.09 -0.17 0.00 -0.02 0.00 0.00 35.03 34.38 3fku n LYS 131 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3fku s GLU 132 N -5.29 0.13 -0.01 1.97 2.12 -1.26 -3.11 118.70 113.26 3fku s GLU 132 Ca 0.60 -0.20 -0.21 0.00 0.36 0.00 0.00 54.97 55.51 3fku s GLU 132 Cb -0.02 -1.72 -0.23 0.00 0.26 0.00 0.00 34.13 32.43 3fku s GLU 132 CO 0.42 -0.74 1.10 1.25 -0.54 0.00 0.00 175.26 176.75 3fku h LEU 133 N 8.40 0.45 0.00 2.70 5.85 -0.94 -3.49 115.31 128.29 3fku h LEU 133 Ca -0.16 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3fku h LEU 133 Cb 1.12 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3fku h LEU 133 CO 0.32 1.14 0.00 0.61 -0.34 0.00 0.00 178.44 180.17 3fku n GLY 134 N 1.01 1.31 1.18 3.75 0.00 -1.26 -4.99 105.19 106.18 3fku n GLY 134 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 3fku n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fku n ASN 135 N 0.00 2.94 0.00 1.61 6.94 -1.26 -4.88 115.26 120.61 3fku n ASN 135 Ca 0.00 -3.84 0.00 0.00 -0.02 0.00 0.00 54.58 50.72 3fku n ASN 135 Cb 0.00 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 36.89 3fku n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fku n GLY 136 N -1.01 0.53 3.22 4.83 0.00 -1.26 -4.51 105.19 106.98 3fku n GLY 136 Ca 0.31 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 3fku n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku s PHE 138 N 0.05 3.05 -0.02 0.00 0.40 -1.26 -0.19 117.98 120.00 3fku s PHE 138 Ca -0.08 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 3fku s PHE 138 Cb -0.15 -1.48 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 3fku s PHE 138 CO 0.05 0.52 -0.12 -1.83 0.70 0.00 0.00 175.22 174.53 3fku s GLU 139 N -2.91 1.18 0.19 0.44 -1.05 -1.18 -4.94 118.70 110.43 3fku s GLU 139 Ca 0.29 -0.42 -0.29 0.00 -0.15 0.00 0.00 54.97 54.40 3fku s GLU 139 Cb -0.10 -1.09 -0.08 0.00 -0.44 0.00 0.00 34.13 32.42 3fku s GLU 139 CO 0.21 0.19 0.92 -0.06 0.95 0.00 0.00 175.26 177.48 3fku s PHE 140 N 0.01 3.92 0.03 4.83 0.40 -1.26 -0.48 117.98 125.43 3fku s PHE 140 Ca -0.01 1.84 -0.08 0.00 -0.60 0.00 0.00 56.93 58.08 3fku s PHE 140 Cb -0.08 -2.97 -0.31 0.00 0.51 0.00 0.00 43.02 40.17 3fku s PHE 140 CO 0.01 0.39 0.99 1.88 0.70 0.00 0.00 175.22 179.19 3fku h TYR 141 N 4.60 0.65 -3.56 0.36 0.99 -1.82 -3.44 116.97 114.75 3fku h TYR 141 Ca -0.45 -0.48 -0.62 0.00 2.00 0.00 0.00 58.73 59.19 3fku h TYR 141 Cb 1.20 -0.03 -0.13 0.00 1.00 0.00 0.00 36.73 38.78 3fku h TYR 141 CO 0.63 1.43 0.04 -3.38 -0.00 0.00 0.00 178.16 176.87 3fku s HIS 142 N -2.62 3.25 -0.90 4.88 -3.43 -1.26 -4.81 115.29 110.39 3fku s HIS 142 Ca -0.08 0.59 -0.26 0.00 -0.80 0.00 0.00 55.06 54.52 3fku s HIS 142 Cb 0.06 -2.82 -0.18 0.00 -1.43 0.00 0.00 32.58 28.21 3fku s HIS 142 CO 0.89 -0.36 2.29 0.36 -2.00 0.00 0.00 174.74 175.92 3fku n LYS 143 N 5.66 0.37 -1.26 -0.38 2.85 -1.26 -4.91 118.16 119.22 3fku n LYS 143 Ca -0.03 -1.15 -0.29 0.00 -1.05 0.00 0.00 58.31 55.79 3fku n LYS 143 Cb 0.49 -3.72 0.17 0.00 -0.65 0.00 0.00 35.03 31.32 3fku n LYS 143 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fku n ASP 145 N -4.08 -1.43 0.27 0.00 5.68 -1.26 -4.57 116.55 111.16 3fku n ASP 145 Ca 0.05 -2.90 0.17 0.00 -0.50 0.00 0.00 54.79 51.62 3fku n ASP 145 Cb 0.58 2.65 0.84 0.00 -1.14 0.00 0.00 41.12 44.04 3fku n ASP 145 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3fku h ASN 146 N 1.99 0.00 0.31 -1.12 -0.26 -2.00 -0.58 115.58 113.93 3fku h ASN 146 Ca -0.28 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.14 3fku h ASN 146 Cb 1.20 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.41 3fku h ASN 146 CO 0.38 0.00 -1.92 1.21 -1.06 0.00 0.00 177.43 176.04 3fku n GLU 147 N -3.19 0.67 0.10 0.81 2.13 -1.26 -4.30 120.64 115.59 3fku n GLU 147 Ca 0.00 0.23 -0.04 0.00 0.66 0.00 0.00 57.16 58.02 3fku n GLU 147 Cb 0.40 -1.72 -0.01 0.00 0.27 0.00 0.00 31.44 30.39 3fku n GLU 147 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3fku h MET 149 N 0.00 -0.78 0.00 0.00 2.86 -1.55 -2.16 114.93 113.30 3fku h MET 149 Ca -0.01 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3fku h MET 149 Cb 1.51 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.35 3fku h MET 149 CO 0.10 -0.52 0.32 0.93 1.06 0.00 0.00 176.91 178.81 3fku h GLU 150 N -0.81 0.00 -0.08 1.72 4.39 -1.74 0.52 114.58 118.57 3fku h GLU 150 Ca -0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 3fku h GLU 150 Cb 0.72 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3fku h GLU 150 CO -0.05 0.00 -0.56 0.66 -1.16 0.00 0.00 179.01 177.90 3fku h SER 151 N 0.00 0.63 0.79 1.42 4.64 -1.44 -1.80 113.55 117.79 3fku h SER 151 Ca 0.00 -0.67 -0.10 0.00 -0.47 0.00 0.00 61.79 60.56 3fku h SER 151 Cb 0.65 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3fku h SER 151 CO 0.00 1.20 -0.45 0.58 -0.87 0.00 0.00 176.83 177.29 3fku h VAL 152 N 0.11 1.05 0.00 0.95 2.07 0.03 -1.59 116.25 118.88 3fku h VAL 152 Ca -0.05 -1.72 -0.05 0.00 0.82 0.00 0.00 66.70 65.70 3fku h VAL 152 Cb 1.21 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3fku h VAL 152 CO 0.11 0.44 -0.27 -0.09 0.02 0.00 0.00 177.57 177.79 3fku h ARG 153 N 0.00 0.00 -0.03 1.57 2.43 -1.20 -3.32 114.38 113.84 3fku h ARG 153 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3fku h ARG 153 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3fku h ARG 153 CO 0.06 1.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.79 3fku n ASN 154 N -4.57 0.47 0.00 -3.80 6.94 -0.68 -4.93 115.26 108.69 3fku n ASN 154 Ca -0.15 -1.31 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 3fku n ASN 154 Cb 0.52 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 3fku n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fku n GLY 155 N 0.98 2.96 2.50 4.83 0.00 -1.07 -4.95 105.19 110.44 3fku n GLY 155 Ca 0.19 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3fku n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fku n THR 156 N 0.00 3.10 -3.55 2.61 -2.24 -0.87 -4.82 114.28 108.51 3fku n THR 156 Ca 0.00 -1.84 -0.36 0.00 -2.27 0.00 0.00 64.05 59.58 3fku n THR 156 Cb 0.00 -2.30 -0.06 0.00 -2.10 0.00 0.00 70.33 65.88 3fku n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3fku s TYR 157 N 2.95 3.62 -0.06 4.78 5.04 -0.65 -4.67 117.35 128.35 3fku s TYR 157 Ca 0.50 0.85 0.04 0.00 -2.44 0.00 0.00 57.07 56.02 3fku s TYR 157 Cb 0.13 -2.20 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 3fku s TYR 157 CO -0.04 0.55 -0.17 0.34 -1.34 0.00 0.00 175.55 174.88 3fku s ASP 158 N -1.58 3.74 -0.25 4.32 -1.08 -1.26 -5.02 116.67 115.53 3fku s ASP 158 Ca 0.31 -0.31 -0.10 0.00 -0.52 0.00 0.00 52.55 51.92 3fku s ASP 158 Cb -0.15 -0.95 -0.15 0.00 -1.46 0.00 0.00 42.92 40.21 3fku s ASP 158 CO 0.17 0.29 -0.19 0.00 0.52 0.00 0.00 175.17 175.95 3fku n TYR 159 N 2.69 0.24 0.00 -5.34 4.19 -1.26 -4.51 117.16 113.17 3fku n TYR 159 Ca -0.17 0.08 0.00 0.00 3.31 0.00 0.00 57.90 61.12 3fku n TYR 159 Cb 0.52 -1.03 0.00 0.00 0.49 0.00 0.00 39.34 39.32 3fku n TYR 159 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3fku n PRO 160 N -3.96 0.00 -0.09 2.98 -0.02 -1.26 -2.41 135.00 130.25 3fku n PRO 160 Ca -0.48 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 60.91 3fku n PRO 160 Cb 0.90 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.91 3fku n PRO 160 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3fku n GLN 161 N -0.80 0.52 -0.10 -0.52 7.27 -1.26 -4.58 117.38 117.91 3fku n GLN 161 Ca 0.00 0.21 0.02 0.00 0.07 0.00 0.00 57.00 57.29 3fku n GLN 161 Cb 0.00 -1.42 0.06 0.00 2.41 0.00 0.00 30.24 31.29 3fku n GLN 161 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3fku n TYR 162 N -4.45 0.25 0.18 3.69 4.02 -1.01 -4.29 117.16 115.55 3fku n TYR 162 Ca -0.14 -0.10 -0.08 0.00 -0.01 0.00 0.00 57.90 57.57 3fku n TYR 162 Cb 0.51 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 3fku n TYR 162 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3fku h SER 163 N 0.71 -0.42 0.00 7.72 0.02 -1.77 -2.19 113.55 117.62 3fku h SER 163 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3fku h SER 163 Cb 0.41 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3fku h SER 163 CO 0.03 -0.18 0.00 -1.84 -1.14 0.00 0.00 176.83 173.71 3fku n GLU 164 N -4.00 0.62 -0.13 3.45 -0.00 -1.26 -1.21 120.64 118.11 3fku n GLU 164 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 57.16 56.85 3fku n GLU 164 Cb 0.19 -1.14 -0.08 0.00 -0.00 0.00 0.00 31.44 30.41 3fku n GLU 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3fku n GLU 165 N -0.64 0.57 -0.31 3.44 2.13 -1.24 -3.90 120.64 120.69 3fku n GLU 165 Ca 0.04 0.25 0.02 0.00 0.66 0.00 0.00 57.16 58.12 3fku n GLU 165 Cb 0.02 -1.47 0.15 0.00 0.27 0.00 0.00 31.44 30.41 3fku n GLU 165 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3fku h ALA 166 N -1.00 1.19 0.00 4.31 0.00 -0.72 -1.64 119.26 121.40 3fku h ALA 166 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3fku h ALA 166 Cb 1.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fku h ALA 166 CO -0.33 0.22 -0.50 2.89 0.00 0.00 0.00 179.25 181.53 3fku n ARG 167 N -4.65 0.11 0.00 0.00 -4.01 -0.35 -2.00 116.66 105.75 3fku n ARG 167 Ca 0.13 0.03 0.10 0.00 -1.04 0.00 0.00 57.85 57.07 3fku n ARG 167 Cb 0.21 -1.57 0.46 0.00 -3.04 0.00 0.00 32.46 28.53 3fku n ARG 167 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3fku n LEU 168 N -1.73 0.00 -0.11 2.89 7.94 -0.71 -0.14 117.00 125.14 3fku n LEU 168 Ca 0.05 0.46 -0.23 0.00 -1.11 0.00 0.00 56.01 55.18 3fku n LEU 168 Cb 0.37 -0.46 -0.11 0.00 0.53 0.00 0.00 43.42 43.75 3fku n LEU 168 CO 0.35 -0.13 -0.63 1.17 -1.11 0.00 0.00 177.39 177.04 3fku n LYS 169 N -1.46 0.57 0.01 1.96 0.00 -0.70 -4.42 118.16 114.12 3fku n LYS 169 Ca 0.06 0.54 0.09 0.00 0.00 0.00 0.00 58.31 59.00 3fku n LYS 169 Cb 0.23 -1.72 0.51 0.00 0.00 0.00 0.00 35.03 34.06 3fku n LYS 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fku h ARG 170 N -1.00 0.34 -0.18 1.64 3.08 -1.27 -2.97 114.38 114.02 3fku h ARG 170 Ca -0.39 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3fku h ARG 170 Cb 1.34 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3fku h ARG 170 CO -0.24 0.23 0.12 1.49 -1.07 0.00 0.00 179.97 180.50 3fku h GLU 171 N 0.36 0.24 0.00 0.04 4.81 -0.75 -3.25 114.58 116.02 3fku h GLU 171 Ca 0.18 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 59.04 3fku h GLU 171 Cb 0.27 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 3fku h GLU 171 CO -0.04 0.17 -2.35 -0.85 -0.73 0.00 0.00 179.01 175.21 3fku n GLU 172 N -4.50 0.69 -0.36 1.92 -0.00 -1.12 -4.37 120.64 112.89 3fku n GLU 172 Ca -0.00 0.10 0.05 0.00 -0.00 0.00 0.00 57.16 57.31 3fku n GLU 172 Cb 0.08 -1.48 0.21 0.00 -0.00 0.00 0.00 31.44 30.25 3fku n GLU 172 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 3fku h ILE 173 N 0.00 0.99 -0.02 3.84 -0.00 -1.65 -3.53 117.51 117.14 3fku h ILE 173 Ca -0.53 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 63.97 3fku h ILE 173 Cb 1.92 -0.16 0.00 0.00 -0.00 0.00 0.00 36.82 38.58 3fku h ILE 173 CO -0.05 0.19 0.00 -1.54 -0.00 0.00 0.00 178.15 176.75