#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku h LEU 2 N 0.00 -0.55 -0.05 0.99 3.38 -1.94 -3.23 115.31 113.91 3fku h LEU 2 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fku h LEU 2 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fku h LEU 2 CO 0.00 -0.31 0.00 0.49 0.09 0.00 0.00 178.44 178.71 3fku n PHE 3 N -5.33 0.23 -1.18 1.13 3.01 -1.26 -4.94 117.46 109.13 3fku n PHE 3 Ca -0.11 0.07 -0.05 0.00 1.01 0.00 0.00 57.45 58.37 3fku n PHE 3 Cb 0.30 -0.62 -0.02 0.00 -0.01 0.00 0.00 39.48 39.13 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 1.08 0.75 0.01 1.37 0.00 -1.22 -4.94 105.19 102.23 3fku n GLY 4 Ca 0.06 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 1.02 0.04 -2.13 4.61 0.00 -1.26 -3.34 120.51 119.45 3fku n ALA 5 Ca -0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 3fku n ALA 5 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.10 3.47 -1.53 0.00 1.01 -1.26 -0.74 121.20 121.04 3fku s ILE 6 Ca -0.01 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 3fku s ILE 6 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3fku s ILE 6 CO 0.02 0.01 0.21 0.00 0.00 0.00 0.00 174.94 175.18 3fku n ALA 7 N 5.23 -0.67 -3.00 9.38 0.00 -1.25 -2.40 120.51 127.80 3fku n ALA 7 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3fku n ALA 7 Cb 0.43 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.18 5.03 0.35 0.00 0.00 0.08 -4.57 105.19 104.90 3fku n GLY 8 Ca -0.18 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 1.09 -1.05 1.61 -5.15 -1.68 -3.05 116.94 108.71 3fku h PHE 9 Ca 0.00 0.03 -0.62 0.00 -0.20 0.00 0.00 57.97 57.19 3fku h PHE 9 Cb 0.00 -0.33 -0.10 0.00 0.22 0.00 0.00 35.95 35.75 3fku h PHE 9 CO 0.00 0.26 1.67 0.42 -2.00 0.00 0.00 178.31 178.66 3fku s ILE 10 N -5.87 3.97 -0.55 0.88 1.01 -1.23 -4.24 121.20 115.16 3fku s ILE 10 Ca -0.11 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.23 3fku s ILE 10 Cb 0.25 -5.09 0.01 0.00 0.01 0.00 0.00 42.46 37.63 3fku s ILE 10 CO 0.80 -1.96 1.52 -1.61 0.00 0.00 0.00 174.94 173.69 3fku s GLU 11 N 4.80 3.19 0.15 2.79 2.02 -1.15 -3.89 118.70 126.62 3fku s GLU 11 Ca 0.48 0.54 0.00 0.00 0.02 0.00 0.00 54.97 56.01 3fku s GLU 11 Cb 0.01 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 30.06 3fku s GLU 11 CO -0.06 -2.07 0.00 0.41 0.02 0.00 0.00 175.26 173.57 3fku n GLY 12 N 5.35 -2.76 3.93 -1.39 0.00 -1.26 -4.99 105.19 104.07 3fku n GLY 12 Ca 0.14 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 3fku n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fku s GLY 13 N -4.85 1.46 -0.18 -0.02 0.00 -1.26 -4.93 107.32 97.54 3fku s GLY 13 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 3fku s GLY 13 CO 0.00 -0.65 0.38 -0.98 0.00 0.00 0.00 173.10 171.85 3fku s TRP 14 N -2.57 3.42 0.24 1.90 0.51 -1.26 -4.94 118.94 116.23 3fku s TRP 14 Ca 0.45 0.65 0.08 0.00 -2.12 0.00 0.00 56.10 55.16 3fku s TRP 14 Cb -0.10 -2.48 0.24 0.00 -0.81 0.00 0.00 33.47 30.32 3fku s TRP 14 CO 0.40 0.09 1.54 1.96 -0.51 0.00 0.00 176.95 180.43 3fku h GLN 15 N 7.08 0.06 0.00 4.98 1.08 -2.04 -3.09 115.11 123.18 3fku h GLN 15 Ca -0.38 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3fku h GLN 15 Cb 1.17 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3fku h GLN 15 CO 0.73 0.72 0.00 0.78 -0.95 0.00 0.00 178.83 180.11 3fku h GLY 16 N 1.93 0.00 -7.08 3.46 0.00 -2.04 -3.39 103.07 95.95 3fku h GLY 16 Ca -0.01 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.68 3fku h GLY 16 CO 0.09 0.00 0.16 -0.29 0.00 0.00 0.00 176.54 176.50 3fku s MET 17 N -3.88 3.41 -0.06 4.80 -2.45 -1.17 -4.88 119.30 115.07 3fku s MET 17 Ca -0.03 -0.21 0.06 0.00 -1.25 0.00 0.00 55.69 54.26 3fku s MET 17 Cb 0.11 -3.91 -0.09 0.00 1.25 0.00 0.00 34.83 32.19 3fku s MET 17 CO 0.40 -0.94 0.04 1.33 1.05 0.00 0.00 175.02 176.90 3fku n VAL 18 N 5.81 0.41 0.30 10.11 0.24 -1.26 -4.69 118.33 129.25 3fku n VAL 18 Ca -0.01 -0.28 0.16 0.00 -2.04 0.00 0.00 64.34 62.18 3fku n VAL 18 Cb 0.48 -0.66 0.76 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.00 -5.65 -1.34 3.32 -1.97 -3.47 116.42 107.31 3fku h ASP 19 Ca -0.16 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.16 3fku h ASP 19 Cb 1.28 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 3fku h ASP 19 CO 0.01 0.00 0.76 -0.83 -1.72 0.00 0.00 179.24 177.46 3fku s GLY 20 N -3.92 -0.09 0.19 2.75 0.00 -1.26 -4.97 107.32 100.02 3fku s GLY 20 Ca -0.00 -0.00 0.12 0.00 0.00 0.00 0.00 44.72 44.84 3fku s GLY 20 CO 0.42 3.43 1.30 1.49 0.00 0.00 0.00 173.10 179.74 3fku h TRP 21 N 2.00 0.00 -3.95 1.90 6.55 -1.91 -3.47 115.95 117.07 3fku h TRP 21 Ca -0.25 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.41 3fku h TRP 21 Cb 1.20 0.00 -0.22 0.00 -0.86 0.00 0.00 29.16 29.28 3fku h TRP 21 CO 1.19 0.70 -0.70 0.71 -1.05 0.00 0.00 178.44 179.28 3fku s TYR 22 N -2.86 0.24 0.00 0.49 1.51 -1.26 -5.08 117.35 110.39 3fku s TYR 22 Ca 0.02 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 3fku s TYR 22 Cb 0.08 -0.17 0.00 0.00 -0.11 0.00 0.00 41.96 41.76 3fku s TYR 22 CO 0.78 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 175.46 3fku n GLY 23 N 1.76 0.98 3.24 0.71 0.00 -1.26 0.37 105.19 110.98 3fku n GLY 23 Ca -0.23 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.03 1.90 0.13 1.61 1.51 -0.94 -4.91 117.35 113.62 3fku s TYR 24 Ca 0.00 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 3fku s TYR 24 Cb 0.00 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 3fku s TYR 24 CO 0.00 0.01 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.83 3fku s HIS 25 N -0.61 2.81 0.33 2.71 5.65 -1.26 -1.40 115.29 123.52 3fku s HIS 25 Ca 0.08 -0.13 0.04 0.00 0.25 0.00 0.00 55.06 55.30 3fku s HIS 25 Cb -0.08 -1.42 -0.03 0.00 -1.18 0.00 0.00 32.58 29.86 3fku s HIS 25 CO 0.00 0.47 0.19 -3.38 -0.65 0.00 0.00 174.74 171.37 3fku s HIS 26 N -1.45 1.67 -0.18 3.88 -3.43 -0.81 -4.96 115.29 110.00 3fku s HIS 26 Ca 0.24 -1.44 -0.13 0.00 -0.80 0.00 0.00 55.06 52.94 3fku s HIS 26 Cb -0.10 -0.87 0.06 0.00 -1.43 0.00 0.00 32.58 30.23 3fku s HIS 26 CO 0.16 -0.58 0.46 0.45 -2.00 0.00 0.00 174.74 173.23 3fku s SER 27 N -3.42 -0.54 0.39 7.38 0.15 -1.26 -2.42 113.70 113.98 3fku s SER 27 Ca 0.35 0.97 -0.13 0.00 0.70 0.00 0.00 55.95 57.84 3fku s SER 27 Cb 0.04 0.90 0.05 0.00 -1.71 0.00 0.00 66.02 65.30 3fku s SER 27 CO 0.20 -0.18 0.74 0.54 1.20 0.00 0.00 173.24 175.74 3fku s ASN 28 N 0.95 0.23 0.48 5.45 4.22 -1.15 -4.95 114.94 120.16 3fku s ASN 28 Ca -0.06 -1.28 0.18 0.00 -2.14 0.00 0.00 52.86 49.57 3fku s ASN 28 Cb -0.06 0.84 1.20 0.00 1.28 0.00 0.00 41.25 44.50 3fku s ASN 28 CO -0.08 -1.67 2.00 -0.33 -2.04 0.00 0.00 177.10 174.98 3fku h GLU 29 N 2.01 0.21 0.01 3.55 4.39 -2.01 -2.51 114.58 120.23 3fku h GLU 29 Ca -0.33 -0.01 -0.37 0.00 0.34 0.00 0.00 59.36 58.99 3fku h GLU 29 Cb 1.25 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 3fku h GLU 29 CO 0.42 0.14 -2.06 0.00 -1.16 0.00 0.00 179.01 176.35 3fku n GLN 30 N -4.44 0.60 -2.50 2.33 10.64 -1.26 -5.04 117.38 117.70 3fku n GLN 30 Ca 0.09 0.36 -0.18 0.00 -1.83 0.00 0.00 57.00 55.44 3fku n GLN 30 Cb 0.44 -1.60 0.08 0.00 -0.86 0.00 0.00 30.24 28.30 3fku n GLN 30 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3fku n GLY 31 N 1.49 1.41 0.00 2.61 0.00 -0.94 -5.11 105.19 104.64 3fku n GLY 31 Ca -0.44 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.45 3fku n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fku n SER 32 N -2.64 0.00 0.00 1.61 2.88 -1.26 -2.95 113.62 111.26 3fku n SER 32 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3fku n SER 32 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3fku n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fku n GLY 33 N 0.00 3.10 3.90 0.46 0.00 -1.02 -4.96 105.19 106.67 3fku n GLY 33 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 3fku n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fku s TYR 34 N -2.00 3.26 -0.30 1.61 1.51 -1.26 -1.93 117.35 118.24 3fku s TYR 34 Ca 0.00 0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 56.79 3fku s TYR 34 Cb 0.00 -2.99 0.18 0.00 -0.11 0.00 0.00 41.96 39.03 3fku s TYR 34 CO 0.00 -1.11 1.07 0.00 -1.11 0.00 0.00 175.55 174.40 3fku s ALA 35 N -3.25 -3.30 0.41 3.71 0.00 -0.49 -4.96 121.76 113.88 3fku s ALA 35 Ca 0.57 1.58 -0.24 0.00 0.00 0.00 0.00 51.96 53.87 3fku s ALA 35 Cb -0.11 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.53 3fku s ALA 35 CO 0.49 -1.32 1.11 0.00 0.00 0.00 0.00 175.76 176.05 3fku s ALA 36 N 2.76 3.08 -1.37 0.00 0.00 -1.26 -2.20 121.76 122.76 3fku s ALA 36 Ca -0.01 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3fku s ALA 36 Cb -0.08 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.81 3fku s ALA 36 CO -0.13 -0.41 2.11 -3.47 0.00 0.00 0.00 175.76 173.86 3fku n ASP 37 N -0.13 5.04 -0.15 0.00 4.64 0.16 -4.86 116.55 121.25 3fku n ASP 37 Ca 0.05 -2.98 -0.05 0.00 -1.38 0.00 0.00 54.79 50.43 3fku n ASP 37 Cb 0.48 -1.54 0.01 0.00 -1.04 0.00 0.00 41.12 39.03 3fku n ASP 37 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3fku h LYS 38 N 5.71 -0.16 -1.31 -0.67 1.57 -1.92 -0.53 116.57 119.27 3fku h LYS 38 Ca 0.51 0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.68 3fku h LYS 38 Cb 0.59 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 3fku h LYS 38 CO 1.73 -0.10 0.94 1.49 -0.57 0.00 0.00 179.45 182.93 3fku h GLU 39 N -0.16 0.01 0.00 3.15 4.81 -1.98 1.51 114.58 121.93 3fku h GLU 39 Ca 0.22 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.21 3fku h GLU 39 Cb 0.51 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3fku h GLU 39 CO -0.58 0.00 -2.02 -1.13 -0.73 0.00 0.00 179.01 174.56 3fku n SER 40 N -4.15 1.13 -0.20 1.04 3.41 -0.29 -2.48 113.62 112.08 3fku n SER 40 Ca 0.28 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3fku n SER 40 Cb 1.36 1.05 0.43 0.00 -0.26 0.00 0.00 64.21 66.80 3fku n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3fku h THR 41 N 0.00 0.86 -0.20 6.66 2.02 -0.27 -1.09 112.91 120.88 3fku h THR 41 Ca -0.35 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 3fku h THR 41 Cb 1.74 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3fku h THR 41 CO 0.02 0.11 -0.39 -0.61 0.37 0.00 0.00 175.52 175.01 3fku h GLN 42 N 0.58 0.62 -0.67 6.66 5.75 0.20 -1.97 115.11 126.28 3fku h GLN 42 Ca 0.38 -0.40 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3fku h GLN 42 Cb 0.67 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 3fku h GLN 42 CO -0.14 1.02 0.20 -0.22 -2.65 0.00 0.00 178.83 177.04 3fku h LYS 43 N 0.31 1.04 0.08 1.69 3.64 -1.23 -1.62 116.57 120.46 3fku h LYS 43 Ca 0.01 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3fku h LYS 43 Cb 0.99 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3fku h LYS 43 CO 0.09 0.89 -0.04 0.00 -2.27 0.00 0.00 179.45 178.12 3fku h ALA 44 N 1.22 -0.10 -0.63 5.00 0.00 -1.09 -2.79 119.26 120.86 3fku h ALA 44 Ca 0.22 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3fku h ALA 44 Cb 0.29 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3fku h ALA 44 CO -0.01 -0.52 0.27 0.82 0.00 0.00 0.00 179.25 179.81 3fku h ILE 45 N -0.18 0.81 -1.01 0.00 2.04 -1.16 0.41 117.51 118.42 3fku h ILE 45 Ca -0.01 -0.16 0.27 0.00 1.00 0.00 0.00 64.86 65.96 3fku h ILE 45 Cb 0.15 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3fku h ILE 45 CO 0.02 0.09 0.70 0.44 0.00 0.00 0.00 178.15 179.39 3fku h ASP 46 N 0.47 0.20 0.06 1.72 5.19 -1.05 0.19 116.42 123.20 3fku h ASP 46 Ca 0.31 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3fku h ASP 46 Cb 0.35 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3fku h ASP 46 CO -0.28 0.05 -0.03 1.23 -3.12 0.00 0.00 179.24 177.09 3fku h GLY 47 N 0.18 -0.09 -0.10 2.75 0.00 -0.69 -2.62 103.07 102.50 3fku h GLY 47 Ca 0.52 0.03 0.25 0.00 0.00 0.00 0.00 47.33 48.13 3fku h GLY 47 CO -0.12 -0.03 0.64 -2.08 0.00 0.00 0.00 176.54 174.95 3fku h VAL 48 N -0.22 0.55 -0.13 4.60 2.07 -1.15 0.32 116.25 122.29 3fku h VAL 48 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3fku h VAL 48 Cb 0.06 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3fku h VAL 48 CO 0.01 0.09 0.04 0.74 0.02 0.00 0.00 177.57 178.47 3fku h THR 49 N 0.49 1.18 -0.81 2.57 2.02 -0.75 -2.23 112.91 115.39 3fku h THR 49 Ca 0.61 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3fku h THR 49 Cb 1.35 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 3fku h THR 49 CO -0.36 0.16 0.53 0.78 0.37 0.00 0.00 175.52 177.00 3fku h ASN 50 N 0.02 0.83 0.16 4.18 2.35 -0.09 -1.64 115.58 121.39 3fku h ASN 50 Ca 0.04 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3fku h ASN 50 Cb 0.22 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3fku h ASN 50 CO -0.00 0.56 -0.21 0.50 -1.65 0.00 0.00 177.43 176.63 3fku h LYS 51 N 0.95 -0.40 -0.32 0.81 3.64 -0.63 0.27 116.57 120.88 3fku h LYS 51 Ca 0.33 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 3fku h LYS 51 Cb 0.11 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3fku h LYS 51 CO -0.11 -0.27 0.05 -0.39 -2.27 0.00 0.00 179.45 176.46 3fku h VAL 52 N -0.42 0.82 0.00 2.00 -1.51 -0.84 -1.55 116.25 114.75 3fku h VAL 52 Ca 0.01 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.42 3fku h VAL 52 Cb 0.42 0.65 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3fku h VAL 52 CO -0.08 0.03 -0.07 0.78 -1.23 0.00 0.00 177.57 177.00 3fku h ASN 53 N 0.15 0.00 -0.05 4.19 -0.26 -0.95 -2.16 115.58 116.51 3fku h ASN 53 Ca 0.15 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.72 3fku h ASN 53 Cb 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3fku h ASN 53 CO -0.22 0.07 -0.59 0.28 -1.06 0.00 0.00 177.43 175.91 3fku h SER 54 N 0.00 0.73 -0.09 5.81 0.02 0.54 -2.73 113.55 117.84 3fku h SER 54 Ca -0.00 -0.41 -0.20 0.00 -0.84 0.00 0.00 61.79 60.35 3fku h SER 54 Cb 0.24 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.58 3fku h SER 54 CO 0.01 1.15 -0.71 0.40 -1.14 0.00 0.00 176.83 176.54 3fku h ILE 55 N 0.49 1.33 -0.74 3.27 2.04 -1.04 -2.34 117.51 120.51 3fku h ILE 55 Ca 0.00 -1.99 0.03 0.00 1.00 0.00 0.00 64.86 63.90 3fku h ILE 55 Cb 1.16 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 3fku h ILE 55 CO 0.12 0.61 0.47 0.40 0.00 0.00 0.00 178.15 179.74 3fku h ILE 56 N 0.28 1.11 0.00 -0.67 2.04 -1.48 -1.82 117.51 116.97 3fku h ILE 56 Ca -0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3fku h ILE 56 Cb 1.36 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3fku h ILE 56 CO 0.14 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.93 3fku n ASP 57 N -4.63 0.40 0.05 1.72 10.43 -1.03 -1.47 116.55 122.01 3fku n ASP 57 Ca 0.08 0.60 0.06 0.00 2.57 0.00 0.00 54.79 58.10 3fku n ASP 57 Cb 0.08 -0.68 -0.06 0.00 1.84 0.00 0.00 41.12 42.30 3fku n ASP 57 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fku n LYS 58 N -1.94 0.62 -2.12 -1.24 4.01 -0.75 -4.49 118.16 112.26 3fku n LYS 58 Ca 0.03 0.10 -0.37 0.00 -0.51 0.00 0.00 58.31 57.56 3fku n LYS 58 Cb 0.21 -1.76 0.03 0.00 -0.51 0.00 0.00 35.03 33.00 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 -2.69 3.12 0.00 1.97 2.81 -0.54 -4.15 117.12 117.64 3fku n MET 59 Ca -0.06 -3.85 0.00 0.00 -1.81 0.00 0.00 57.70 51.98 3fku n MET 59 Cb 0.69 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 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 -0.48 4.81 -2.68 7.83 4.13 -1.25 -4.70 115.26 122.91 3fku n ASN 60 Ca 0.50 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.41 3fku n ASN 60 Cb 0.32 0.86 0.03 0.00 -1.54 0.00 0.00 39.78 39.46 3fku n ASN 60 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3fku n THR 61 N -1.55 3.23 -0.63 3.41 -2.24 -1.26 -5.01 114.28 110.24 3fku n THR 61 Ca 0.00 -4.29 -0.27 0.00 -2.27 0.00 0.00 64.05 57.22 3fku n THR 61 Cb 0.10 -1.23 0.24 0.00 -2.10 0.00 0.00 70.33 67.34 3fku n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fku n GLN 62 N -0.58 -3.69 -2.46 -0.78 6.02 -1.26 -4.99 117.38 109.63 3fku n GLN 62 Ca 0.51 -1.44 -0.43 0.00 -0.01 0.00 0.00 57.00 55.63 3fku n GLN 62 Cb 0.43 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 3fku n GLN 62 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3fku s PHE 63 N -2.40 2.94 1.13 1.08 5.36 -1.26 -5.03 117.98 119.79 3fku s PHE 63 Ca 0.62 1.09 -0.17 0.00 -0.96 0.00 0.00 56.93 57.51 3fku s PHE 63 Cb -0.08 -3.46 0.25 0.00 -0.34 0.00 0.00 43.02 39.39 3fku s PHE 63 CO 0.49 -1.48 1.11 -1.21 -1.46 0.00 0.00 175.22 172.67 3fku s GLU 64 N 3.40 -0.60 -0.16 10.12 0.41 -1.26 -5.09 118.70 125.52 3fku s GLU 64 Ca 0.53 0.12 -0.05 0.00 -0.41 0.00 0.00 54.97 55.17 3fku s GLU 64 Cb -0.21 -1.65 0.08 0.00 -1.78 0.00 0.00 34.13 30.57 3fku s GLU 64 CO 0.13 -3.34 0.29 0.00 -0.49 0.00 0.00 175.26 171.86 3fku s ALA 65 N -3.02 -0.66 0.14 5.21 0.00 -1.26 -5.15 121.76 117.02 3fku s ALA 65 Ca 0.69 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.49 3fku s ALA 65 Cb -0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3fku s ALA 65 CO 0.56 -0.82 0.20 0.14 0.00 0.00 0.00 175.76 175.84 3fku s VAL 66 N 2.45 0.09 0.11 0.00 -7.23 -1.26 -5.18 120.40 109.39 3fku s VAL 66 Ca 0.03 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3fku s VAL 66 Cb -0.13 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3fku s VAL 66 CO -0.11 -0.43 0.26 -0.83 -0.31 0.00 0.00 175.10 173.68 3fku s GLY 67 N -2.97 1.93 0.03 2.32 0.00 -1.26 -5.12 107.32 102.25 3fku s GLY 67 Ca 0.16 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 3fku s GLY 67 CO -0.02 -0.93 0.37 -1.60 0.00 0.00 0.00 173.10 170.93 3fku s ARG 68 N -2.91 0.85 0.02 2.90 3.52 -1.26 -5.18 118.95 116.89 3fku s ARG 68 Ca 0.35 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 3fku s ARG 68 Cb -0.12 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 3fku s ARG 68 CO 0.28 -0.27 -0.09 -2.00 -0.81 0.00 0.00 175.30 172.41 3fku s GLU 69 N -2.25 0.64 -0.05 5.12 2.56 -1.26 -5.14 118.70 118.32 3fku s GLU 69 Ca -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 54.97 54.32 3fku s GLU 69 Cb -0.02 -0.56 0.03 0.00 2.00 0.00 0.00 34.13 35.59 3fku s GLU 69 CO -0.01 0.14 0.11 -0.06 -0.56 0.00 0.00 175.26 174.88 3fku s PHE 70 N -0.76 -0.11 0.75 5.30 0.40 -1.26 -5.10 117.98 117.20 3fku s PHE 70 Ca -0.02 0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.52 3fku s PHE 70 Cb -0.06 -0.09 -0.06 0.00 0.51 0.00 0.00 43.02 43.31 3fku s PHE 70 CO 0.00 -0.13 0.25 -1.71 0.70 0.00 0.00 175.22 174.33 3fku n ASN 71 N 3.97 -2.27 0.17 1.36 2.85 -1.26 -4.95 115.26 115.12 3fku n ASN 71 Ca -0.24 0.52 0.02 0.00 -0.11 0.00 0.00 54.58 54.77 3fku n ASN 71 Cb 0.53 -1.10 0.29 0.00 1.24 0.00 0.00 39.78 40.74 3fku n ASN 71 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 3fku h ASN 72 N -0.52 0.00 -0.68 1.20 -0.00 -2.01 -3.07 115.58 110.50 3fku h ASN 72 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.86 3fku h ASN 72 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.67 3fku h ASN 72 CO 0.39 0.46 0.00 0.18 -0.00 0.00 0.00 177.43 178.46 3fku n LEU 73 N -3.86 4.38 -0.92 0.34 4.77 -1.26 -3.84 117.00 116.61 3fku n LEU 73 Ca -0.01 -2.20 0.07 0.00 -0.03 0.00 0.00 56.01 53.83 3fku n LEU 73 Cb 0.50 -0.54 0.25 0.00 -2.33 0.00 0.00 43.42 41.30 3fku n LEU 73 CO 0.39 0.87 0.71 -0.62 -1.33 0.00 0.00 177.39 177.42 3fku n GLU 74 N 1.34 2.79 -0.30 3.23 1.02 -1.16 -4.84 120.64 122.71 3fku n GLU 74 Ca 0.25 -2.88 0.28 0.00 -0.02 0.00 0.00 57.16 54.79 3fku n GLU 74 Cb 0.77 -1.85 0.63 0.00 -0.02 0.00 0.00 31.44 30.97 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 1.70 0.19 0.00 3.49 9.65 -1.69 -0.63 114.38 127.09 3fku h ARG 75 Ca 0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3fku h ARG 75 Cb 1.48 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 3fku h ARG 75 CO 0.25 0.13 -0.61 0.07 2.80 0.00 0.00 179.97 182.60 3fku h ARG 76 N 0.20 0.00 0.00 0.20 0.11 -1.93 -1.93 114.38 111.03 3fku h ARG 76 Ca 0.56 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.56 3fku h ARG 76 Cb 1.82 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.88 3fku h ARG 76 CO -0.15 0.00 -0.99 -0.84 0.10 0.00 0.00 179.97 178.08 3fku h ILE 77 N 0.00 0.34 0.16 0.08 3.07 -1.54 -2.98 117.51 116.64 3fku h ILE 77 Ca 0.00 -1.60 -0.00 0.00 1.55 0.00 0.00 64.86 64.81 3fku h ILE 77 Cb 0.78 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 39.24 3fku h ILE 77 CO 0.00 0.20 -0.13 -0.08 -1.05 0.00 0.00 178.15 177.09 3fku h GLU 78 N 0.00 -0.29 -0.42 0.16 4.81 -1.25 -1.66 114.58 115.93 3fku h GLU 78 Ca -0.07 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3fku h GLU 78 Cb 1.30 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.66 3fku h GLU 78 CO 0.03 -0.19 -0.16 -0.97 -0.73 0.00 0.00 179.01 176.99 3fku h ASN 79 N -0.30 -0.56 -0.48 1.04 -1.24 -1.40 -0.08 115.58 112.57 3fku h ASN 79 Ca -0.01 0.14 0.01 0.00 0.71 0.00 0.00 56.30 57.16 3fku h ASN 79 Cb 0.27 0.32 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 3fku h ASN 79 CO -0.01 -0.19 0.31 0.25 -1.29 0.00 0.00 177.43 176.50 3fku h LEU 80 N -0.07 0.54 -0.53 0.34 6.46 -1.45 0.59 115.31 121.19 3fku h LEU 80 Ca 0.20 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 3fku h LEU 80 Cb 0.38 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 40.09 3fku h LEU 80 CO -0.47 0.39 -0.05 -1.13 -0.62 0.00 0.00 178.44 176.56 3fku h ASN 81 N 0.64 -0.32 0.04 1.25 -1.24 -0.82 -1.53 115.58 113.60 3fku h ASN 81 Ca 0.18 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 3fku h ASN 81 Cb -0.06 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.25 3fku h ASN 81 CO -0.04 -0.12 -0.02 0.50 -1.29 0.00 0.00 177.43 176.46 3fku h LYS 82 N 0.07 -0.05 -1.00 6.67 1.63 0.11 -2.57 116.57 121.43 3fku h LYS 82 Ca 0.26 0.00 0.20 0.00 -0.85 0.00 0.00 60.65 60.27 3fku h LYS 82 Cb 0.41 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 31.94 3fku h LYS 82 CO -0.48 0.35 0.61 0.87 -3.45 0.00 0.00 179.45 177.35 3fku h LYS 83 N -0.46 0.69 0.18 1.90 1.79 0.05 -1.12 116.57 119.60 3fku h LYS 83 Ca -0.01 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3fku h LYS 83 Cb 0.42 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3fku h LYS 83 CO 0.01 0.46 -0.12 1.98 -1.08 0.00 0.00 179.45 180.70 3fku h MET 84 N 0.71 -0.27 -0.52 3.15 1.85 -1.05 0.57 114.93 119.37 3fku h MET 84 Ca 0.58 0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.78 3fku h MET 84 Cb 0.97 0.06 -0.08 0.00 0.43 0.00 0.00 31.60 32.99 3fku h MET 84 CO -0.37 -0.18 0.08 0.93 -0.40 0.00 0.00 176.91 176.98 3fku h GLU 85 N -0.28 0.21 0.00 0.39 5.08 -1.20 0.21 114.58 118.99 3fku h GLU 85 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3fku h GLU 85 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3fku h GLU 85 CO 0.02 0.14 0.00 -0.25 -1.00 0.00 0.00 179.01 177.92 3fku n ASP 86 N -5.14 0.39 -0.02 1.42 10.43 -0.45 -0.12 116.55 123.07 3fku n ASP 86 Ca 0.06 0.62 -0.16 0.00 2.57 0.00 0.00 54.79 57.88 3fku n ASP 86 Cb 0.27 -0.70 -0.12 0.00 1.84 0.00 0.00 41.12 42.41 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 1.57 0.22 1.55 0.44 0.00 0.33 -3.19 103.07 103.97 3fku h GLY 87 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 3fku h GLY 87 CO 0.00 0.38 -0.67 0.74 0.00 0.00 0.00 176.54 176.98 3fku h PHE 88 N -0.52 0.60 0.00 5.60 -1.00 0.57 -2.48 116.94 119.71 3fku h PHE 88 Ca -0.05 -0.25 -0.02 0.00 2.81 0.00 0.00 57.97 60.47 3fku h PHE 88 Cb 1.16 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 3fku h PHE 88 CO 0.20 0.99 -0.07 -0.07 -1.61 0.00 0.00 178.31 177.75 3fku h LEU 89 N 0.32 0.00 -1.26 1.54 3.38 -0.71 -1.15 115.31 117.44 3fku h LEU 89 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3fku h LEU 89 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3fku h LEU 89 CO 0.12 0.07 -0.20 0.44 0.09 0.00 0.00 178.44 178.96 3fku h ASP 90 N 0.00 0.24 0.31 -0.43 3.32 -1.50 -2.89 116.42 115.48 3fku h ASP 90 Ca -0.00 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.66 3fku h ASP 90 Cb 0.97 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3fku h ASP 90 CO 0.01 0.46 -1.76 0.58 -1.72 0.00 0.00 179.24 176.82 3fku h VAL 91 N 0.23 0.88 0.00 -1.35 2.07 -0.95 -2.95 116.25 114.19 3fku h VAL 91 Ca 0.04 -2.58 -0.09 0.00 0.82 0.00 0.00 66.70 64.89 3fku h VAL 91 Cb 0.50 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3fku h VAL 91 CO 0.03 0.79 -0.46 -0.50 0.02 0.00 0.00 177.57 177.46 3fku h TRP 92 N 0.06 0.00 -0.08 1.57 4.06 -1.35 -1.98 115.95 118.23 3fku h TRP 92 Ca -0.33 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.61 3fku h TRP 92 Cb 2.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.19 3fku h TRP 92 CO 0.06 0.44 0.01 1.15 -3.56 0.00 0.00 178.44 176.55 3fku h THR 93 N 0.00 1.22 -0.47 1.49 2.02 -1.62 -1.25 112.91 114.29 3fku h THR 93 Ca -0.01 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3fku h THR 93 Cb 1.34 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 3fku h THR 93 CO 0.06 0.19 0.25 0.22 0.37 0.00 0.00 175.52 176.60 3fku h TYR 94 N -0.11 0.46 -0.70 3.16 3.20 -1.47 0.32 116.97 121.84 3fku h TYR 94 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3fku h TYR 94 Cb 0.28 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3fku h TYR 94 CO 0.02 0.24 0.35 -0.91 -1.64 0.00 0.00 178.16 176.22 3fku h ASN 95 N 0.50 0.89 0.91 -2.11 -0.26 -1.32 0.15 115.58 114.34 3fku h ASN 95 Ca 0.20 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 3fku h ASN 95 Cb 0.08 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.12 3fku h ASN 95 CO -0.12 0.76 -0.44 0.00 -1.06 0.00 0.00 177.43 176.57 3fku h ALA 96 N 1.17 -1.25 -0.72 -0.83 0.00 -0.80 -0.90 119.26 115.94 3fku h ALA 96 Ca 0.24 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.03 3fku h ALA 96 Cb 0.09 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 3fku h ALA 96 CO -0.03 -1.16 0.19 0.93 0.00 0.00 0.00 179.25 179.18 3fku h GLU 97 N -1.30 0.29 0.07 0.00 5.08 -0.04 -1.24 114.58 117.44 3fku h GLU 97 Ca -0.12 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 57.95 3fku h GLU 97 Cb 0.94 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.14 3fku h GLU 97 CO 0.21 0.19 -1.13 1.25 -1.00 0.00 0.00 179.01 178.53 3fku h LEU 98 N 0.30 0.71 -0.14 1.33 6.46 -0.76 -2.17 115.31 121.04 3fku h LEU 98 Ca 0.40 -0.63 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3fku h LEU 98 Cb 0.65 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 3fku h LEU 98 CO -0.47 1.44 0.06 0.25 -0.62 0.00 0.00 178.44 179.10 3fku h LEU 99 N 0.25 0.09 0.00 2.25 5.85 -0.48 -0.72 115.31 122.56 3fku h LEU 99 Ca -0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3fku h LEU 99 Cb 1.79 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3fku h LEU 99 CO 0.21 0.07 -0.02 0.58 -0.34 0.00 0.00 178.44 178.93 3fku h VAL 100 N 0.14 0.93 -0.92 1.05 2.07 -1.24 0.90 116.25 119.19 3fku h VAL 100 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 3fku h VAL 100 Cb 0.01 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3fku h VAL 100 CO -0.04 0.00 0.59 0.25 0.02 0.00 0.00 177.57 178.39 3fku h LEU 101 N -0.05 0.82 0.03 2.57 5.85 -1.17 0.36 115.31 123.73 3fku h LEU 101 Ca 0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3fku h LEU 101 Cb 0.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3fku h LEU 101 CO -0.02 0.46 -0.02 0.24 -0.34 0.00 0.00 178.44 178.76 3fku h MET 102 N 0.89 -0.04 0.00 1.25 2.86 -0.78 -2.83 114.93 116.28 3fku h MET 102 Ca 0.44 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.07 3fku h MET 102 Cb 0.47 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 3fku h MET 102 CO -0.20 0.64 -0.07 1.49 1.06 0.00 0.00 176.91 179.82 3fku h GLU 103 N -0.88 0.00 -0.33 1.72 4.57 -0.72 -1.46 114.58 117.48 3fku h GLU 103 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3fku h GLU 103 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3fku h GLU 103 CO 0.01 0.07 0.02 -0.91 -1.18 0.00 0.00 179.01 177.02 3fku h ASN 104 N 0.00 0.55 -0.45 1.04 4.21 -0.33 -1.64 115.58 118.96 3fku h ASN 104 Ca -0.00 -0.29 -0.05 0.00 1.21 0.00 0.00 56.30 57.17 3fku h ASN 104 Cb 0.27 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 3fku h ASN 104 CO 0.01 0.71 0.09 -0.08 -1.29 0.00 0.00 177.43 176.87 3fku h GLU 105 N 0.38 0.73 -0.39 0.81 4.81 -1.04 -2.39 114.58 117.48 3fku h GLU 105 Ca 0.09 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3fku h GLU 105 Cb 0.42 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3fku h GLU 105 CO 0.01 0.74 0.11 0.00 -0.73 0.00 0.00 179.01 179.15 3fku h ARG 106 N 0.60 0.61 -0.88 1.92 3.08 -1.40 -2.33 114.38 115.98 3fku h ARG 106 Ca 0.14 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3fku h ARG 106 Cb 0.36 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 3fku h ARG 106 CO 0.01 0.63 0.55 1.15 -1.07 0.00 0.00 179.97 181.23 3fku h THR 107 N 0.48 1.04 -0.43 2.04 2.02 -1.21 0.34 112.91 117.19 3fku h THR 107 Ca 0.12 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 3fku h THR 107 Cb 0.28 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3fku h THR 107 CO -0.00 0.18 -0.17 -0.07 0.37 0.00 0.00 175.52 175.83 3fku h LEU 108 N 0.99 0.88 0.00 2.58 3.38 -1.37 -2.68 115.31 119.10 3fku h LEU 108 Ca 0.39 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fku h LEU 108 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3fku h LEU 108 CO -0.18 1.08 0.00 0.47 0.09 0.00 0.00 178.44 179.90 3fku n ASP 109 N -4.23 0.00 -0.06 -0.43 8.00 -0.88 -2.87 116.55 116.08 3fku n ASP 109 Ca -0.01 -0.87 -0.18 0.00 0.71 0.00 0.00 54.79 54.45 3fku n ASP 109 Cb 0.42 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.00 0.12 -0.44 1.24 3.57 -0.62 -3.30 116.94 117.51 3fku h PHE 110 Ca 0.00 -0.09 0.11 0.00 3.53 0.00 0.00 57.97 61.52 3fku h PHE 110 Cb 0.02 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3fku h PHE 110 CO 0.00 1.23 0.31 0.45 -2.23 0.00 0.00 178.31 178.07 3fku h HIS 111 N -0.84 0.13 0.00 0.41 3.86 -1.41 -1.86 115.15 115.44 3fku h HIS 111 Ca -0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3fku h HIS 111 Cb 1.25 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3fku h HIS 111 CO 0.20 0.06 0.00 -3.47 0.86 0.00 0.00 177.93 175.59 3fku n ASP 112 N -4.44 0.25 -0.13 2.45 2.03 -1.14 -2.69 116.55 112.88 3fku n ASP 112 Ca 0.07 0.56 -0.28 0.00 0.52 0.00 0.00 54.79 55.66 3fku n ASP 112 Cb 0.43 -0.61 -0.09 0.00 -0.72 0.00 0.00 41.12 40.13 3fku n ASP 112 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3fku n SER 113 N -1.77 1.94 -0.20 1.67 7.64 -0.77 -3.59 113.62 118.54 3fku n SER 113 Ca 0.03 0.34 0.12 0.00 1.01 0.00 0.00 58.87 60.37 3fku n SER 113 Cb 0.21 -0.81 0.22 0.00 -1.01 0.00 0.00 64.21 62.83 3fku n SER 113 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fku n ASN 114 N -4.25 0.01 0.11 6.43 4.13 -0.79 0.88 115.26 121.78 3fku n ASN 114 Ca -0.51 0.99 -0.20 0.00 1.68 0.00 0.00 54.58 56.53 3fku n ASN 114 Cb 0.86 -0.39 -0.13 0.00 -1.54 0.00 0.00 39.78 38.57 3fku n ASN 114 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3fku h VAL 115 N 0.00 1.36 0.13 2.41 2.07 -1.71 -2.72 116.25 117.79 3fku h VAL 115 Ca 0.40 -2.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 3fku h VAL 115 Cb 0.90 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 3fku h VAL 115 CO -0.52 0.80 -0.06 0.50 0.02 0.00 0.00 177.57 178.31 3fku h LYS 116 N 0.18 -0.17 0.00 1.57 3.11 0.44 -2.66 116.57 119.04 3fku h LYS 116 Ca -0.18 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.65 3fku h LYS 116 Cb 1.95 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 33.22 3fku h LYS 116 CO 0.23 0.09 -0.10 -0.91 -2.81 0.00 0.00 179.45 175.95 3fku h ASN 117 N -0.43 0.00 -0.05 4.20 2.35 -0.77 -0.33 115.58 120.55 3fku h ASN 117 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3fku h ASN 117 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3fku h ASN 117 CO 0.03 0.10 -0.14 0.25 -1.65 0.00 0.00 177.43 176.02 3fku h LEU 118 N 0.00 0.20 -1.44 1.61 5.85 -1.44 -2.33 115.31 117.77 3fku h LEU 118 Ca -0.00 -0.61 0.16 0.00 0.84 0.00 0.00 57.88 58.27 3fku h LEU 118 Cb 0.33 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3fku h LEU 118 CO 0.01 0.78 0.56 0.22 -0.34 0.00 0.00 178.44 179.67 3fku h TYR 119 N -0.36 0.63 0.00 1.25 3.20 -1.03 -2.06 116.97 118.60 3fku h TYR 119 Ca -0.00 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 3fku h TYR 119 Cb 0.76 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3fku h TYR 119 CO 0.13 0.22 -0.52 -0.44 -1.64 0.00 0.00 178.16 175.90 3fku h ASP 120 N 0.52 0.00 0.14 -2.11 3.32 -0.98 -2.54 116.42 114.78 3fku h ASP 120 Ca 0.43 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 3fku h ASP 120 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3fku h ASP 120 CO -0.17 0.52 -0.07 0.50 -1.72 0.00 0.00 179.24 178.30 3fku h LYS 121 N 0.00 -0.18 -0.62 3.56 3.64 -0.81 -0.73 116.57 121.43 3fku h LYS 121 Ca -0.01 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3fku h LYS 121 Cb 1.26 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 3fku h LYS 121 CO 0.07 0.25 -0.19 0.28 -2.27 0.00 0.00 179.45 177.58 3fku h VAL 122 N -0.69 0.33 0.25 2.00 2.07 -1.57 -2.07 116.25 116.55 3fku h VAL 122 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3fku h VAL 122 Cb 0.51 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3fku h VAL 122 CO 0.03 0.00 -0.35 -0.09 0.02 0.00 0.00 177.57 177.18 3fku h ARG 123 N -0.04 -0.60 -0.66 1.57 2.43 -1.38 -2.52 114.38 113.18 3fku h ARG 123 Ca 0.29 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.65 3fku h ARG 123 Cb 0.48 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 3fku h ARG 123 CO -0.65 -0.40 0.45 -0.07 -1.51 0.00 0.00 179.97 177.79 3fku h LEU 124 N -0.62 0.22 0.00 3.80 3.38 -0.72 -2.95 115.31 118.43 3fku h LEU 124 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fku h LEU 124 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3fku h LEU 124 CO -0.10 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3fku n GLN 125 N -4.43 0.00 -1.67 1.13 6.02 -0.82 -4.44 117.38 113.18 3fku n GLN 125 Ca 0.12 0.43 -0.45 0.00 -0.01 0.00 0.00 57.00 57.09 3fku n GLN 125 Cb 0.56 -1.25 -0.04 0.00 1.02 0.00 0.00 30.24 30.53 3fku n GLN 125 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3fku n LEU 126 N -1.78 3.84 0.00 1.08 4.77 -0.97 -4.78 117.00 119.16 3fku n LEU 126 Ca 0.00 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 3fku n LEU 126 Cb 0.00 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 3fku n LEU 126 CO 0.00 0.08 0.00 0.54 -1.33 0.00 0.00 177.39 176.68 3fku n ARG 127 N 7.19 1.01 0.00 3.23 1.74 -1.25 -4.60 116.66 123.98 3fku n ARG 127 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3fku n ARG 127 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.00 0.00 -0.02 0.55 5.75 -1.26 -1.52 116.55 120.05 3fku n ASP 128 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 3fku n ASP 128 Cb 0.00 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.38 3fku n ASP 128 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3fku n ASN 129 N 0.94 0.50 -3.77 -1.12 3.02 -1.26 -4.83 115.26 108.74 3fku n ASN 129 Ca 0.00 -0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.18 3fku n ASN 129 Cb 0.00 0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 3fku n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fku s ALA 130 N -2.95 -0.67 -0.33 5.41 0.00 -0.58 -0.86 121.76 121.78 3fku s ALA 130 Ca 0.13 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 3fku s ALA 130 Cb 0.18 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3fku s ALA 130 CO 0.67 -0.35 0.19 0.21 0.00 0.00 0.00 175.76 176.48 3fku s LYS 131 N -2.09 3.37 -0.10 0.00 2.20 0.23 -4.86 119.74 118.49 3fku s LYS 131 Ca -0.08 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 3fku s LYS 131 Cb -0.03 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3fku s LYS 131 CO -0.01 -0.44 1.35 -2.00 -0.36 0.00 0.00 175.35 173.89 3fku s GLU 132 N 1.65 4.25 -0.12 4.03 2.12 -1.26 -0.72 118.70 128.66 3fku s GLU 132 Ca 0.05 1.82 0.20 0.00 0.36 0.00 0.00 54.97 57.40 3fku s GLU 132 Cb -0.17 -3.75 -0.29 0.00 0.26 0.00 0.00 34.13 30.18 3fku s GLU 132 CO 0.08 -0.67 0.27 -0.11 -0.54 0.00 0.00 175.26 174.28 3fku n LEU 133 N 6.30 0.00 0.00 2.70 7.94 0.23 -4.97 117.00 129.19 3fku n LEU 133 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 3fku n LEU 133 Cb 0.44 0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.65 3fku n LEU 133 CO 0.57 0.25 0.00 0.61 -1.11 0.00 0.00 177.39 177.72 3fku n GLY 134 N 1.52 0.74 2.25 -3.96 0.00 -1.22 -4.92 105.19 99.59 3fku n GLY 134 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 4.66 0.00 1.61 0.23 -1.26 -4.77 115.26 115.73 3fku n ASN 135 Ca 0.00 -3.65 0.00 0.00 -0.53 0.00 0.00 54.58 50.40 3fku n ASN 135 Cb 0.00 -0.87 0.00 0.00 -2.08 0.00 0.00 39.78 36.83 3fku n ASN 135 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fku n GLY 136 N -1.10 0.87 2.93 4.83 0.00 -1.26 -4.47 105.19 106.99 3fku n GLY 136 Ca 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.21 2.92 0.01 0.00 0.40 -1.26 -0.60 117.98 119.24 3fku s PHE 138 Ca -0.03 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 3fku s PHE 138 Cb -0.02 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3fku s PHE 138 CO -0.00 0.33 -0.23 -1.83 0.70 0.00 0.00 175.22 174.19 3fku s GLU 139 N -0.89 1.72 0.33 0.44 -1.05 0.10 -4.94 118.70 114.42 3fku s GLU 139 Ca 0.13 -0.93 -0.13 0.00 -0.15 0.00 0.00 54.97 53.90 3fku s GLU 139 Cb -0.11 -1.77 -0.08 0.00 -0.44 0.00 0.00 34.13 31.73 3fku s GLU 139 CO 0.02 0.47 0.71 -0.06 0.95 0.00 0.00 175.26 177.36 3fku s PHE 140 N -0.67 3.41 0.02 4.83 0.40 -1.26 0.77 117.98 125.47 3fku s PHE 140 Ca 0.09 1.10 0.08 0.00 -0.60 0.00 0.00 56.93 57.60 3fku s PHE 140 Cb -0.09 -2.46 -0.23 0.00 0.51 0.00 0.00 43.02 40.75 3fku s PHE 140 CO 0.01 0.06 0.92 1.88 0.70 0.00 0.00 175.22 178.79 3fku h TYR 141 N 1.99 0.08 -2.97 0.36 0.99 -1.36 -3.45 116.97 112.61 3fku h TYR 141 Ca -0.48 -0.06 -0.67 0.00 2.00 0.00 0.00 58.73 59.52 3fku h TYR 141 Cb 1.18 -0.00 -0.11 0.00 1.00 0.00 0.00 36.73 38.80 3fku h TYR 141 CO 0.61 1.08 -0.55 -3.38 -0.00 0.00 0.00 178.16 175.92 3fku s HIS 142 N -2.64 3.38 0.39 4.88 -3.43 -1.25 -4.66 115.29 111.96 3fku s HIS 142 Ca -0.04 0.35 -0.26 0.00 -0.80 0.00 0.00 55.06 54.32 3fku s HIS 142 Cb 0.09 -1.85 -0.09 0.00 -1.43 0.00 0.00 32.58 29.29 3fku s HIS 142 CO 0.83 0.61 1.27 -1.59 -2.00 0.00 0.00 174.74 173.86 3fku s LYS 143 N -1.06 4.04 -0.25 -0.38 -2.85 -1.26 -5.00 119.74 112.98 3fku s LYS 143 Ca 0.15 2.10 -0.03 0.00 -1.00 0.00 0.00 55.97 57.19 3fku s LYS 143 Cb -0.12 -2.79 0.10 0.00 -2.06 0.00 0.00 37.83 32.96 3fku s LYS 143 CO 0.05 -0.41 0.19 0.00 0.10 0.00 0.00 175.35 175.28 3fku s ASP 145 N 2.24 2.57 0.44 0.00 -4.77 -1.26 -4.65 116.67 111.24 3fku s ASP 145 Ca 0.07 0.31 0.20 0.00 -3.30 0.00 0.00 52.55 49.83 3fku s ASP 145 Cb -0.15 -0.37 1.15 0.00 -1.09 0.00 0.00 42.92 42.46 3fku s ASP 145 CO -0.25 -3.07 1.87 0.78 0.70 0.00 0.00 175.17 175.19 3fku h ASN 146 N -1.88 0.34 1.12 2.11 -0.26 -1.99 0.12 115.58 115.15 3fku h ASN 146 Ca -0.44 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.25 3fku h ASN 146 Cb 1.24 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 3fku h ASN 146 CO 0.36 0.14 -0.37 -0.08 -1.06 0.00 0.00 177.43 176.41 3fku h GLU 147 N 0.34 0.00 0.00 0.81 4.57 -2.01 -2.99 114.58 115.29 3fku h GLU 147 Ca 0.45 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.43 3fku h GLU 147 Cb 1.22 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 3fku h GLU 147 CO -0.15 0.37 -1.14 0.00 -1.18 0.00 0.00 179.01 176.91 3fku h MET 149 N 0.00 -0.34 -0.76 0.00 2.86 -1.06 -2.00 114.93 113.63 3fku h MET 149 Ca -0.11 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.73 3fku h MET 149 Cb 1.70 0.08 -0.14 0.00 0.06 0.00 0.00 31.60 33.30 3fku h MET 149 CO 0.09 -0.07 -0.03 0.93 1.06 0.00 0.00 176.91 178.88 3fku h GLU 150 N -0.59 0.08 -0.94 1.72 4.39 -1.66 0.53 114.58 118.11 3fku h GLU 150 Ca -0.04 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.77 3fku h GLU 150 Cb 0.43 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 3fku h GLU 150 CO 0.06 0.05 0.60 0.66 -1.16 0.00 0.00 179.01 179.22 3fku h SER 151 N 0.08 0.85 -0.22 1.42 4.64 -1.50 2.26 113.55 121.08 3fku h SER 151 Ca 0.41 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 3fku h SER 151 Cb 0.71 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3fku h SER 151 CO -0.69 0.48 -0.34 0.58 -0.87 0.00 0.00 176.83 175.99 3fku h VAL 152 N 0.93 1.32 -0.18 0.95 2.07 0.10 0.64 116.25 122.08 3fku h VAL 152 Ca 0.45 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3fku h VAL 152 Cb 0.46 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3fku h VAL 152 CO -0.21 0.48 0.03 0.03 0.02 0.00 0.00 177.57 177.92 3fku h ARG 153 N 0.30 0.30 -0.25 1.57 3.08 0.27 -2.41 114.38 117.24 3fku h ARG 153 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3fku h ARG 153 Cb 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3fku h ARG 153 CO 0.08 0.46 0.00 0.27 -1.07 0.00 0.00 179.97 179.70 3fku n ASN 154 N -4.77 1.37 -1.94 7.04 6.94 0.74 -4.94 115.26 119.70 3fku n ASN 154 Ca -0.05 -1.97 -0.11 0.00 -0.02 0.00 0.00 54.58 52.43 3fku n ASN 154 Cb 0.18 -0.17 0.04 0.00 -2.36 0.00 0.00 39.78 37.47 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 0.92 0.23 2.50 4.83 0.00 -0.72 -4.95 105.19 108.00 3fku n GLY 155 Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.71 0.45 -1.29 2.61 -2.24 0.22 -5.01 114.28 105.31 3fku n THR 156 Ca -0.00 -3.42 -0.30 0.00 -2.27 0.00 0.00 64.05 58.06 3fku n THR 156 Cb 0.53 0.40 0.12 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.48 2.48 -0.47 4.78 5.04 -0.95 -4.75 117.35 121.02 3fku s TYR 157 Ca 0.31 1.29 0.03 0.00 -2.44 0.00 0.00 57.07 56.26 3fku s TYR 157 Cb 0.41 -3.13 0.15 0.00 0.35 0.00 0.00 41.96 39.74 3fku s TYR 157 CO -0.02 -2.14 0.29 0.34 -1.34 0.00 0.00 175.55 172.68 3fku s ASP 158 N -3.52 3.37 0.16 4.32 2.15 -1.26 -5.02 116.67 116.87 3fku s ASP 158 Ca 0.62 -2.85 -0.30 0.00 0.43 0.00 0.00 52.55 50.45 3fku s ASP 158 Cb -0.17 -0.96 -0.07 0.00 -0.30 0.00 0.00 42.92 41.42 3fku s ASP 158 CO 0.56 -0.23 1.52 0.00 -0.17 0.00 0.00 175.17 176.86 3fku n TYR 159 N 3.23 -0.43 0.32 -5.34 4.19 -1.26 -1.01 117.16 116.86 3fku n TYR 159 Ca 0.14 1.21 0.21 0.00 3.31 0.00 0.00 57.90 62.78 3fku n TYR 159 Cb 0.37 -0.58 1.12 0.00 0.49 0.00 0.00 39.34 40.74 3fku n TYR 159 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 3fku h PRO 160 N 0.00 0.00 -0.37 2.98 0.13 -1.99 -2.31 132.00 130.44 3fku h PRO 160 Ca 0.16 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 3fku h PRO 160 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3fku h PRO 160 CO -0.91 0.00 -0.35 0.37 -0.23 0.00 0.00 178.00 176.88 3fku h GLN 161 N 0.00 0.84 -0.40 0.86 4.15 -1.51 -3.14 115.11 115.91 3fku h GLN 161 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.01 3fku h GLN 161 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3fku h GLN 161 CO 0.00 1.05 0.00 0.66 -1.93 0.00 0.00 178.83 178.61 3fku n TYR 162 N -4.06 0.73 0.38 3.99 4.02 -0.89 -4.79 117.16 116.54 3fku n TYR 162 Ca -0.01 -0.59 -0.19 0.00 -0.01 0.00 0.00 57.90 57.10 3fku n TYR 162 Cb 0.51 -0.11 -0.10 0.00 -0.02 0.00 0.00 39.34 39.63 3fku n TYR 162 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3fku h SER 163 N 2.41 -1.26 0.44 7.72 4.64 -1.46 0.06 113.55 126.10 3fku h SER 163 Ca 0.00 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 3fku h SER 163 Cb 0.99 0.38 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3fku h SER 163 CO 0.07 -0.71 -0.23 1.05 -0.87 0.00 0.00 176.83 176.14 3fku h GLU 164 N -1.12 0.00 0.60 4.77 -0.00 -1.87 0.25 114.58 117.21 3fku h GLU 164 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.24 3fku h GLU 164 Cb 0.92 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.67 3fku h GLU 164 CO 0.06 0.23 -0.29 1.49 -0.00 0.00 0.00 179.01 180.50 3fku h GLU 165 N 0.00 -0.77 0.16 1.06 4.81 -1.84 -2.18 114.58 115.82 3fku h GLU 165 Ca -0.00 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3fku h GLU 165 Cb 0.51 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3fku h GLU 165 CO 0.03 -0.51 -0.08 0.00 -0.73 0.00 0.00 179.01 177.72 3fku h ALA 166 N -0.40 -0.21 0.00 2.92 0.00 -0.16 -2.75 119.26 118.66 3fku h ALA 166 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fku h ALA 166 Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fku h ALA 166 CO 0.13 -0.62 0.00 2.89 0.00 0.00 0.00 179.25 181.66 3fku n ARG 167 N -5.18 0.19 -0.14 0.00 -4.01 0.81 -0.78 116.66 107.55 3fku n ARG 167 Ca -0.09 0.07 -0.12 0.00 -1.04 0.00 0.00 57.85 56.67 3fku n ARG 167 Cb 0.11 -1.50 -0.01 0.00 -3.04 0.00 0.00 32.46 28.01 3fku n ARG 167 CO 0.00 0.00 0.00 -0.07 -3.04 0.00 0.00 177.63 174.52 3fku h LEU 168 N 0.00 0.96 0.39 2.89 4.07 -1.08 -2.45 115.31 120.09 3fku h LEU 168 Ca 0.00 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.52 3fku h LEU 168 Cb 0.32 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3fku h LEU 168 CO 0.00 1.17 -0.19 0.50 -1.08 0.00 0.00 178.44 178.84 3fku h LYS 169 N 0.75 -0.51 -0.88 1.13 3.11 -0.89 -2.45 116.57 116.84 3fku h LYS 169 Ca 0.09 0.03 0.23 0.00 -2.81 0.00 0.00 60.65 58.20 3fku h LYS 169 Cb 0.83 0.12 -0.15 0.00 -1.00 0.00 0.00 32.23 32.03 3fku h LYS 169 CO 0.07 -0.21 0.14 0.00 -2.81 0.00 0.00 179.45 176.64 3fku h ARG 170 N -1.00 0.13 -0.05 1.90 3.08 -1.38 0.42 114.38 117.48 3fku h ARG 170 Ca -0.05 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3fku h ARG 170 Cb 0.53 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3fku h ARG 170 CO 0.09 0.08 0.03 1.49 -1.07 0.00 0.00 179.97 180.60 3fku h GLU 171 N 0.13 0.01 0.00 0.04 4.81 -1.32 -2.65 114.58 115.60 3fku h GLU 171 Ca 0.54 -0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.40 3fku h GLU 171 Cb 1.08 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 3fku h GLU 171 CO -0.72 0.01 -2.37 -0.85 -0.73 0.00 0.00 179.01 174.34 3fku n GLU 172 N -4.53 0.69 0.00 1.92 -0.00 0.13 -3.68 120.64 115.17 3fku n GLU 172 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.18 3fku n GLU 172 Cb 0.13 -1.53 0.23 0.00 -0.00 0.00 0.00 31.44 30.26 3fku n GLU 172 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3fku n ILE 173 N -2.78 0.00 1.00 3.84 -5.35 -0.06 -0.67 119.36 115.34 3fku n ILE 173 Ca -0.33 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.27 3fku n ILE 173 Cb 1.15 -0.23 0.19 0.00 -1.74 0.00 0.00 39.64 39.01 3fku n ILE 173 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3fku n SER 174 N -0.64 2.79 -2.08 7.28 7.64 -1.00 -4.97 113.62 122.64 3fku n SER 174 Ca 0.06 -1.91 -0.10 0.00 1.01 0.00 0.00 58.87 57.92 3fku n SER 174 Cb 0.03 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3fku n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fku n GLY 175 N 1.34 -0.02 0.17 0.23 0.00 0.16 -4.78 105.19 102.28 3fku n GLY 175 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3fku n GLY 175 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3fku h VAL 176 N 0.00 0.86 0.00 1.61 -1.51 -1.78 -1.91 116.25 113.52 3fku h VAL 176 Ca -0.23 -1.78 -0.06 0.00 -1.23 0.00 0.00 66.70 63.40 3fku h VAL 176 Cb 1.01 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.28 3fku h VAL 176 CO 0.29 0.41 -0.27 -0.09 -1.23 0.00 0.00 177.57 176.69 3fku h ARG 177 N 0.00 0.00 0.00 5.19 2.43 -1.87 -3.28 114.38 116.85 3fku h ARG 177 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3fku h ARG 177 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3fku h ARG 177 CO 0.05 0.27 0.00 0.43 -1.51 0.00 0.00 179.97 179.22 3fku n SER 178 N -3.59 0.00 -1.49 -3.80 7.64 -0.72 -3.27 113.62 108.40 3fku n SER 178 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3fku n SER 178 Cb 0.41 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.73 3fku n SER 178 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fku n LEU 179 N -0.11 4.52 0.00 -3.43 4.77 -1.24 -5.16 117.00 116.35 3fku n LEU 179 Ca 0.00 -4.21 0.00 0.00 -0.03 0.00 0.00 56.01 51.77 3fku n LEU 179 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3fku n LEU 179 CO 0.00 1.62 0.00 0.52 -1.33 0.00 0.00 177.39 178.20