#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku n VAL 2 N 0.00 1.25 -3.60 1.69 0.24 -1.26 -5.01 118.33 111.65 3fku n VAL 2 Ca 0.00 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.34 62.01 3fku n VAL 2 Cb 0.00 -1.10 -0.14 0.00 -1.47 0.00 0.00 33.84 31.13 3fku n VAL 2 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fku s GLN 3 N -4.26 0.14 -0.24 7.34 -0.21 -1.26 -5.00 119.66 116.18 3fku s GLN 3 Ca 0.70 0.52 -0.14 0.00 0.02 0.00 0.00 55.36 56.47 3fku s GLN 3 Cb -0.27 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.21 3fku s GLN 3 CO 0.54 -0.42 0.30 -0.51 -2.12 0.00 0.00 175.29 173.08 3fku s LEU 4 N 2.36 4.10 -0.25 2.90 1.43 -1.26 -1.28 118.68 126.67 3fku s LEU 4 Ca 0.04 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3fku s LEU 4 Cb -0.13 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.80 3fku s LEU 4 CO -0.09 -0.06 -0.10 0.68 0.23 0.00 0.00 176.35 177.00 3fku s VAL 5 N 1.50 2.34 0.35 -1.59 -7.23 -1.14 -3.86 120.40 110.78 3fku s VAL 5 Ca 0.13 -1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 3fku s VAL 5 Cb -0.15 -2.29 0.08 0.00 0.56 0.00 0.00 36.38 34.58 3fku s VAL 5 CO 0.08 0.07 0.48 0.00 -0.31 0.00 0.00 175.10 175.43 3fku n GLN 6 N 4.51 -0.20 -2.79 4.82 6.02 -1.26 -1.30 117.38 127.17 3fku n GLN 6 Ca -0.15 -0.92 -0.15 0.00 -0.01 0.00 0.00 57.00 55.76 3fku n GLN 6 Cb 0.44 -0.44 0.01 0.00 1.02 0.00 0.00 30.24 31.27 3fku n GLN 6 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3fku n SER 7 N -3.20 1.92 -4.64 1.08 2.88 -1.22 -4.94 113.62 105.50 3fku n SER 7 Ca 0.07 -2.14 -0.29 0.00 -1.33 0.00 0.00 58.87 55.18 3fku n SER 7 Cb 0.23 -0.08 0.19 0.00 -0.75 0.00 0.00 64.21 63.80 3fku n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fku s GLY 8 N -3.33 1.57 -1.13 0.46 0.00 -1.26 -4.65 107.32 98.98 3fku s GLY 8 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 3fku s GLY 8 CO 0.15 0.39 1.83 0.00 0.00 0.00 0.00 173.10 175.48 3fku n ALA 9 N -4.32 5.85 -1.58 3.20 0.00 -1.26 -4.77 120.51 117.62 3fku n ALA 9 Ca 0.05 -4.53 -0.40 0.00 0.00 0.00 0.00 53.44 48.55 3fku n ALA 9 Cb 0.56 -2.46 0.02 0.00 0.00 0.00 0.00 19.45 17.58 3fku n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fku n GLU 10 N 1.22 1.10 -4.03 0.00 1.02 -1.26 -4.77 120.64 113.93 3fku n GLU 10 Ca 0.42 0.40 -0.19 0.00 -0.02 0.00 0.00 57.16 57.77 3fku n GLU 10 Cb 0.29 -1.98 -0.16 0.00 -0.02 0.00 0.00 31.44 29.57 3fku n GLU 10 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fku s VAL 11 N -1.39 0.39 0.15 2.62 1.01 -1.26 -3.22 120.40 118.71 3fku s VAL 11 Ca 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 3fku s VAL 11 Cb -0.52 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3fku s VAL 11 CO 0.55 0.20 0.14 -0.54 0.00 0.00 0.00 175.10 175.45 3fku s LYS 12 N 1.10 1.05 0.57 2.72 1.02 -0.38 -4.96 119.74 120.85 3fku s LYS 12 Ca -0.08 -1.39 -0.14 0.00 0.02 0.00 0.00 55.97 54.37 3fku s LYS 12 Cb -0.14 0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 3fku s LYS 12 CO -0.01 -0.34 1.01 0.21 -0.92 0.00 0.00 175.35 175.30 3fku s LYS 13 N -4.04 3.72 1.00 1.68 2.20 -1.26 -0.23 119.74 122.80 3fku s LYS 13 Ca 0.24 0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 56.64 3fku s LYS 13 Cb 0.06 -2.10 0.16 0.00 -1.51 0.00 0.00 37.83 34.44 3fku s LYS 13 CO 0.03 -0.47 0.91 -2.30 -0.36 0.00 0.00 175.35 173.16 3fku n PRO 14 N -2.12 -0.97 0.00 4.03 -0.02 -1.25 -3.04 135.00 131.63 3fku n PRO 14 Ca 0.07 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3fku n PRO 14 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3fku n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fku n GLY 15 N 0.78 0.79 3.37 -1.23 0.00 -1.08 -4.96 105.19 102.86 3fku n GLY 15 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3fku n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fku n SER 16 N 1.27 -2.19 -3.96 1.61 7.64 -1.17 -3.11 113.62 113.71 3fku n SER 16 Ca 0.00 -0.21 -0.10 0.00 1.01 0.00 0.00 58.87 59.57 3fku n SER 16 Cb 0.00 -1.11 -0.12 0.00 -1.01 0.00 0.00 64.21 61.97 3fku n SER 16 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3fku s SER 17 N -2.17 0.24 0.15 6.43 1.04 -1.26 -2.89 113.70 115.24 3fku s SER 17 Ca 0.63 -0.40 0.11 0.00 0.48 0.00 0.00 55.95 56.77 3fku s SER 17 Cb -0.20 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 3fku s SER 17 CO 0.65 -0.23 -0.23 0.68 0.98 0.00 0.00 173.24 175.09 3fku s VAL 18 N -1.16 2.45 -0.51 5.02 -7.23 -0.30 -4.97 120.40 113.70 3fku s VAL 18 Ca -0.12 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 3fku s VAL 18 Cb -0.08 -2.13 0.18 0.00 0.56 0.00 0.00 36.38 34.91 3fku s VAL 18 CO -0.01 0.01 0.41 1.17 -0.31 0.00 0.00 175.10 176.37 3fku n LYS 19 N 0.63 0.77 -2.84 4.82 4.81 -1.22 -1.35 118.16 123.77 3fku n LYS 19 Ca -0.15 -3.61 -0.33 0.00 -0.87 0.00 0.00 58.31 53.35 3fku n LYS 19 Cb 0.54 -1.85 -0.07 0.00 0.02 0.00 0.00 35.03 33.67 3fku n LYS 19 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3fku s VAL 20 N -0.53 4.41 -0.05 3.15 1.01 -0.88 -4.83 120.40 122.67 3fku s VAL 20 Ca 0.31 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 3fku s VAL 20 Cb 0.03 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3fku s VAL 20 CO -0.18 -0.30 0.00 -0.94 0.00 0.00 0.00 175.10 173.68 3fku s SER 21 N -2.17 1.11 -0.15 3.32 1.04 -1.26 -1.12 113.70 114.47 3fku s SER 21 Ca 0.61 -0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 3fku s SER 21 Cb -0.09 -0.35 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 3fku s SER 21 CO 0.14 -0.15 0.33 0.00 0.98 0.00 0.00 173.24 174.53 3fku s THR 23 N 0.49 1.82 0.12 0.00 2.01 -0.42 0.90 115.64 120.56 3fku s THR 23 Ca 0.18 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 3fku s THR 23 Cb -0.13 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 3fku s THR 23 CO 0.05 0.44 0.67 -0.55 -0.69 0.00 0.00 174.62 174.54 3fku s SER 24 N 1.37 7.21 0.38 3.53 0.15 -0.49 -2.88 113.70 122.99 3fku s SER 24 Ca 0.04 1.44 0.06 0.00 0.70 0.00 0.00 55.95 58.19 3fku s SER 24 Cb -0.14 -2.42 0.77 0.00 -1.71 0.00 0.00 66.02 62.52 3fku s SER 24 CO -0.11 0.24 2.01 -1.28 1.20 0.00 0.00 173.24 175.30 3fku h SER 25 N 4.40 0.51 -2.94 5.45 0.87 -1.50 -3.47 113.55 116.87 3fku h SER 25 Ca -0.48 -0.03 -0.61 0.00 -1.23 0.00 0.00 61.79 59.43 3fku h SER 25 Cb 1.21 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.99 3fku h SER 25 CO 0.65 0.42 -0.53 -1.83 -0.53 0.00 0.00 176.83 175.00 3fku s GLU 26 N -5.39 3.23 0.18 2.24 -1.05 -1.26 -4.96 118.70 111.68 3fku s GLU 26 Ca -0.08 -0.56 -0.03 0.00 -0.15 0.00 0.00 54.97 54.14 3fku s GLU 26 Cb 0.17 -2.91 0.07 0.00 -0.44 0.00 0.00 34.13 31.02 3fku s GLU 26 CO 0.74 0.58 1.46 0.28 0.95 0.00 0.00 175.26 179.27 3fku h VAL 27 N 2.18 1.34 -0.79 1.83 2.07 -2.02 -3.27 116.25 117.60 3fku h VAL 27 Ca -0.46 -1.94 -0.73 0.00 0.82 0.00 0.00 66.70 64.39 3fku h VAL 27 Cb 1.17 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 32.76 3fku h VAL 27 CO 0.71 0.60 2.63 0.35 0.02 0.00 0.00 177.57 181.87 3fku n THR 28 N -3.91 4.23 0.13 2.57 -2.24 -1.26 -4.68 114.28 109.12 3fku n THR 28 Ca -0.04 -3.77 -0.23 0.00 -2.27 0.00 0.00 64.05 57.73 3fku n THR 28 Cb 0.66 -2.42 -0.16 0.00 -2.10 0.00 0.00 70.33 66.32 3fku n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3fku h PHE 29 N 5.54 0.89 -0.14 4.78 3.57 -1.95 -3.33 116.94 126.30 3fku h PHE 29 Ca 0.55 -0.65 -0.11 0.00 3.53 0.00 0.00 57.97 61.29 3fku h PHE 29 Cb 0.54 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3fku h PHE 29 CO 1.44 1.55 -0.41 0.77 -2.23 0.00 0.00 178.31 179.44 3fku h SER 30 N 0.13 0.34 0.34 0.41 0.02 -1.91 -3.20 113.55 109.68 3fku h SER 30 Ca -0.26 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3fku h SER 30 Cb 2.14 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.59 3fku h SER 30 CO 0.25 0.71 0.00 -1.54 -1.14 0.00 0.00 176.83 175.12 3fku n SER 31 N -4.03 0.00 -4.08 3.07 3.41 -1.25 -3.06 113.62 107.68 3fku n SER 31 Ca -0.01 0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.37 3fku n SER 31 Cb 0.49 -0.29 -0.17 0.00 -0.26 0.00 0.00 64.21 63.98 3fku n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fku s PHE 32 N -2.58 1.90 0.28 7.33 0.40 -1.21 -4.06 117.98 120.04 3fku s PHE 32 Ca 0.16 -0.79 -0.29 0.00 -0.60 0.00 0.00 56.93 55.42 3fku s PHE 32 Cb 0.12 -1.34 -0.10 0.00 0.51 0.00 0.00 43.02 42.21 3fku s PHE 32 CO 0.27 -0.37 1.17 0.00 0.70 0.00 0.00 175.22 176.99 3fku s ALA 33 N 0.68 3.44 -0.17 5.36 0.00 -0.58 -4.56 121.76 125.92 3fku s ALA 33 Ca -0.13 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 3fku s ALA 33 Cb -0.16 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3fku s ALA 33 CO 0.04 -0.33 -0.03 0.42 0.00 0.00 0.00 175.76 175.85 3fku s ILE 34 N -1.01 3.80 0.28 0.00 1.01 -0.65 0.13 121.20 124.76 3fku s ILE 34 Ca 0.47 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.83 3fku s ILE 34 Cb -0.34 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3fku s ILE 34 CO 0.44 0.47 0.01 -0.44 0.00 0.00 0.00 174.94 175.42 3fku s SER 35 N 0.65 4.50 -0.06 3.58 0.01 -0.13 -0.35 113.70 121.90 3fku s SER 35 Ca -0.02 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.58 3fku s SER 35 Cb -0.14 -0.78 -0.00 0.00 0.21 0.00 0.00 66.02 65.30 3fku s SER 35 CO 0.02 -0.06 -0.20 0.26 0.41 0.00 0.00 173.24 173.68 3fku s TRP 36 N -2.36 2.01 -0.45 2.43 0.52 -0.36 0.59 118.94 121.32 3fku s TRP 36 Ca 0.33 -0.65 0.06 0.00 0.02 0.00 0.00 56.10 55.85 3fku s TRP 36 Cb -0.05 -1.35 0.20 0.00 -1.15 0.00 0.00 33.47 31.11 3fku s TRP 36 CO 0.20 -0.24 0.54 0.28 0.02 0.00 0.00 176.95 177.75 3fku n VAL 37 N 3.25 -0.66 -1.48 4.03 0.31 0.12 -1.80 118.33 122.11 3fku n VAL 37 Ca -0.19 -2.62 -0.33 0.00 -0.01 0.00 0.00 64.34 61.20 3fku n VAL 37 Cb 0.53 -0.60 0.08 0.00 -0.91 0.00 0.00 33.84 32.93 3fku n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fku s ARG 38 N 0.16 2.32 -0.24 5.55 1.70 -0.02 -3.91 118.95 124.50 3fku s ARG 38 Ca 0.32 1.51 -0.03 0.00 -0.47 0.00 0.00 55.73 57.06 3fku s ARG 38 Cb 0.07 -1.88 0.08 0.00 -0.57 0.00 0.00 34.95 32.65 3fku s ARG 38 CO -0.15 -1.64 0.09 -1.14 -1.08 0.00 0.00 175.30 171.37 3fku s GLN 39 N -4.18 0.43 0.84 3.89 0.74 0.16 -1.34 119.66 120.21 3fku s GLN 39 Ca 0.69 -0.55 -0.11 0.00 0.05 0.00 0.00 55.36 55.44 3fku s GLN 39 Cb -0.23 -1.76 0.10 0.00 1.10 0.00 0.00 33.01 32.22 3fku s GLN 39 CO 0.46 -0.84 1.13 0.00 -0.55 0.00 0.00 175.29 175.50 3fku s ALA 40 N 1.92 1.82 0.10 1.58 0.00 -1.26 -0.28 121.76 125.64 3fku s ALA 40 Ca 0.05 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 3fku s ALA 40 Cb -0.17 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3fku s ALA 40 CO -0.20 -2.31 1.84 -2.14 0.00 0.00 0.00 175.76 172.94 3fku s PRO 41 N -4.65 4.14 0.00 0.00 0.02 -1.26 -2.79 135.00 130.46 3fku s PRO 41 Ca 0.66 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.25 3fku s PRO 41 Cb -0.21 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.62 3fku s PRO 41 CO 0.56 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 3fku n GLY 42 N 4.26 2.27 3.07 0.52 0.00 -1.26 -5.00 105.19 109.05 3fku n GLY 42 Ca 0.18 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3fku n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fku n GLN 43 N 0.00 -0.81 0.00 1.61 3.00 -1.12 -5.11 117.38 114.96 3fku n GLN 43 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 3fku n GLN 43 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 30.24 29.27 3fku n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 44 N -1.73 1.21 3.73 1.08 0.00 -1.26 -4.68 105.19 103.54 3fku n GLY 44 Ca 0.13 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 3fku n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 45 N 0.00 3.66 -0.08 0.99 1.43 -1.26 -4.22 118.68 119.19 3fku s LEU 45 Ca 0.00 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3fku s LEU 45 Cb 0.00 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.98 3fku s LEU 45 CO 0.00 0.21 0.18 -0.70 0.23 0.00 0.00 176.35 176.26 3fku s GLU 46 N -2.11 0.10 0.05 1.70 2.12 -0.45 -4.66 118.70 115.46 3fku s GLU 46 Ca 0.25 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 3fku s GLU 46 Cb -0.12 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 3fku s GLU 46 CO 0.17 -0.22 0.98 -0.46 -0.54 0.00 0.00 175.26 175.19 3fku s TRP 47 N 1.65 3.72 -0.21 5.30 -0.00 -1.26 -0.85 118.94 127.29 3fku s TRP 47 Ca -0.05 1.73 -0.21 0.00 -0.00 0.00 0.00 56.10 57.58 3fku s TRP 47 Cb -0.12 -3.10 -0.19 0.00 -0.00 0.00 0.00 33.47 30.06 3fku s TRP 47 CO -0.07 0.04 0.20 1.28 -0.00 0.00 0.00 176.95 178.41 3fku n LEU 48 N 3.39 1.87 0.00 5.86 4.77 -0.75 -4.78 117.00 127.36 3fku n LEU 48 Ca 0.04 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3fku n LEU 48 Cb 0.50 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3fku n LEU 48 CO 0.52 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3fku n GLY 49 N 1.43 -0.56 0.00 -0.72 0.00 -1.22 -1.16 105.19 102.97 3fku n GLY 49 Ca -0.33 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3fku n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fku n GLY 50 N 0.00 1.83 3.10 -0.02 0.00 -0.33 -1.23 105.19 108.54 3fku n GLY 50 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3fku n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fku s ILE 51 N -2.00 0.68 -0.49 -0.61 2.07 0.52 -0.21 121.20 121.17 3fku s ILE 51 Ca 0.00 -1.26 -0.23 0.00 -1.41 0.00 0.00 60.65 57.75 3fku s ILE 51 Cb 0.00 -0.86 0.03 0.00 0.13 0.00 0.00 42.46 41.76 3fku s ILE 51 CO 0.00 -0.42 0.81 -0.55 -1.91 0.00 0.00 174.94 172.87 3fku s SER 52 N -1.84 6.37 0.50 4.50 0.15 -1.15 -1.64 113.70 120.59 3fku s SER 52 Ca -0.05 -0.27 0.17 0.00 0.70 0.00 0.00 55.95 56.50 3fku s SER 52 Cb -0.08 -2.39 1.23 0.00 -1.71 0.00 0.00 66.02 63.07 3fku s SER 52 CO 0.00 -1.00 2.11 -0.65 1.20 0.00 0.00 173.24 174.90 3fku h PRO 53 N 9.08 0.00 0.05 5.44 0.11 -1.80 0.40 132.00 145.28 3fku h PRO 53 Ca -0.25 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.60 3fku h PRO 53 Cb 1.08 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fku h PRO 53 CO 1.00 0.06 -1.09 1.98 -0.21 0.00 0.00 178.00 179.74 3fku h MET 54 N 0.00 0.50 0.00 1.05 1.85 -1.87 -3.35 114.93 113.12 3fku h MET 54 Ca -0.00 -0.61 -0.20 0.00 -0.61 0.00 0.00 59.70 58.28 3fku h MET 54 Cb 0.10 0.19 -0.04 0.00 0.43 0.00 0.00 31.60 32.29 3fku h MET 54 CO 0.01 1.24 -2.01 1.19 -0.40 0.00 0.00 176.91 176.93 3fku n PHE 55 N -3.75 0.25 0.00 1.39 3.72 -1.04 -5.02 117.46 113.01 3fku n PHE 55 Ca -0.10 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3fku n PHE 55 Cb 0.91 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3fku n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fku n GLY 56 N 1.50 2.62 3.63 1.37 0.00 0.14 -5.02 105.19 109.44 3fku n GLY 56 Ca -0.18 -0.60 -0.63 0.00 0.00 0.00 0.00 46.02 44.62 3fku n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3fku n THR 57 N 0.00 0.02 -4.18 2.61 5.66 -1.26 -4.55 114.28 112.57 3fku n THR 57 Ca 0.00 -0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 3fku n THR 57 Cb 0.00 -0.35 -0.05 0.00 -1.55 0.00 0.00 70.33 68.38 3fku n THR 57 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3fku s PRO 58 N 1.63 2.69 -0.11 1.09 0.04 -1.26 -2.94 135.00 136.14 3fku s PRO 58 Ca 0.98 -1.19 0.02 0.00 0.04 0.00 0.00 61.00 60.84 3fku s PRO 58 Cb -1.35 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 30.79 3fku s PRO 58 CO 0.69 0.38 -0.16 -0.80 0.04 0.00 0.00 177.00 177.14 3fku s ASN 59 N -3.78 2.56 0.31 6.66 -0.87 0.71 -5.00 114.94 115.52 3fku s ASN 59 Ca 0.32 -0.46 0.09 0.00 -1.57 0.00 0.00 52.86 51.25 3fku s ASN 59 Cb -0.07 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.25 39.95 3fku s ASN 59 CO 0.23 0.03 0.00 -0.31 -2.57 0.00 0.00 177.10 174.48 3fku s TYR 60 N 0.94 2.59 0.11 2.20 1.51 -1.26 -1.19 117.35 122.25 3fku s TYR 60 Ca -0.07 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.43 3fku s TYR 60 Cb -0.15 -1.36 -0.07 0.00 -0.11 0.00 0.00 41.96 40.27 3fku s TYR 60 CO -0.01 0.53 0.66 0.00 -1.11 0.00 0.00 175.55 175.61 3fku s ALA 61 N -2.44 3.53 0.25 3.71 0.00 -0.30 -4.89 121.76 121.61 3fku s ALA 61 Ca 0.34 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.50 3fku s ALA 61 Cb -0.03 -2.77 0.65 0.00 0.00 0.00 0.00 23.12 20.97 3fku s ALA 61 CO 0.20 0.35 1.21 1.04 0.00 0.00 0.00 175.76 178.55 3fku n GLN 62 N 1.70 -0.06 0.16 0.00 6.02 -1.26 0.30 117.38 124.25 3fku n GLN 62 Ca -0.08 1.14 0.13 0.00 -0.01 0.00 0.00 57.00 58.18 3fku n GLN 62 Cb 0.50 -1.85 0.66 0.00 1.02 0.00 0.00 30.24 30.57 3fku n GLN 62 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3fku h LYS 63 N 0.00 0.00 -0.29 -1.09 3.64 -1.95 -2.72 116.57 114.16 3fku h LYS 63 Ca 0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3fku h LYS 63 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3fku h LYS 63 CO -0.71 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.66 3fku n PHE 64 N -4.47 0.49 -0.29 1.91 3.72 0.15 -4.82 117.46 114.14 3fku n PHE 64 Ca 0.02 -0.58 -0.07 0.00 -0.05 0.00 0.00 57.45 56.77 3fku n PHE 64 Cb 0.29 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 3fku n PHE 64 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3fku n GLN 65 N 0.19 -0.29 0.03 -1.08 -0.06 -1.03 -1.25 117.38 113.89 3fku n GLN 65 Ca 0.12 1.04 0.12 0.00 -2.00 0.00 0.00 57.00 56.28 3fku n GLN 65 Cb 0.49 -1.53 0.18 0.00 -4.06 0.00 0.00 30.24 25.32 3fku n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fku n GLY 66 N -1.18 -1.31 0.20 1.69 0.00 -1.26 -4.59 105.19 98.74 3fku n GLY 66 Ca 0.02 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 3fku n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fku n ARG 67 N -1.83 0.55 -2.83 1.61 1.74 -0.38 -4.97 116.66 110.54 3fku n ARG 67 Ca 0.04 0.23 -0.30 0.00 -0.77 0.00 0.00 57.85 57.05 3fku n ARG 67 Cb 0.40 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3fku n ARG 67 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fku s VAL 68 N -2.47 4.82 -0.24 1.55 1.01 -1.13 -3.35 120.40 120.59 3fku s VAL 68 Ca -0.35 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 3fku s VAL 68 Cb 0.13 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.87 3fku s VAL 68 CO 0.46 -0.57 0.29 -0.89 0.00 0.00 0.00 175.10 174.39 3fku s THR 69 N -2.42 -0.43 -0.02 3.92 2.01 0.24 -4.95 115.64 113.99 3fku s THR 69 Ca 0.50 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.36 3fku s THR 69 Cb -0.10 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3fku s THR 69 CO 0.34 -0.25 -0.18 0.27 -0.69 0.00 0.00 174.62 174.11 3fku s ILE 70 N 2.40 2.79 0.33 1.82 -5.25 -1.26 -1.56 121.20 120.48 3fku s ILE 70 Ca 0.09 -0.91 -0.18 0.00 -0.99 0.00 0.00 60.65 58.67 3fku s ILE 70 Cb -0.15 -2.09 0.05 0.00 2.95 0.00 0.00 42.46 43.21 3fku s ILE 70 CO -0.19 0.53 0.79 0.42 -1.79 0.00 0.00 174.94 174.70 3fku s THR 71 N -0.75 0.00 -0.17 8.37 -4.23 -0.92 -4.85 115.64 113.09 3fku s THR 71 Ca 0.12 -0.97 -0.11 0.00 -1.18 0.00 0.00 61.69 59.55 3fku s THR 71 Cb -0.10 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.22 3fku s THR 71 CO 0.01 0.00 0.42 0.00 -0.54 0.00 0.00 174.62 174.51 3fku s ALA 72 N -2.85 -1.05 -0.39 3.99 0.00 -1.26 0.85 121.76 121.04 3fku s ALA 72 Ca 0.14 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 3fku s ALA 72 Cb -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3fku s ALA 72 CO 0.09 -0.25 0.77 0.34 0.00 0.00 0.00 175.76 176.71 3fku s ASP 73 N 1.09 6.50 0.07 0.00 2.15 0.36 -4.96 116.67 121.88 3fku s ASP 73 Ca -0.07 0.20 -0.21 0.00 0.43 0.00 0.00 52.55 52.90 3fku s ASP 73 Cb -0.07 -2.39 -0.11 0.00 -0.30 0.00 0.00 42.92 40.05 3fku s ASP 73 CO -0.09 -0.77 1.52 1.56 -0.17 0.00 0.00 175.17 177.22 3fku h GLN 74 N 8.62 0.29 -0.79 4.34 4.20 -1.87 0.42 115.11 130.32 3fku h GLN 74 Ca -0.25 -0.08 0.18 0.00 0.06 0.00 0.00 58.65 58.56 3fku h GLN 74 Cb 1.09 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.73 3fku h GLN 74 CO 0.92 0.47 0.23 0.77 -0.67 0.00 0.00 178.83 180.55 3fku h SER 75 N 0.06 0.08 0.02 1.46 0.02 -1.97 -1.27 113.55 111.95 3fku h SER 75 Ca 0.05 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3fku h SER 75 Cb 0.33 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3fku h SER 75 CO 0.01 -0.04 -0.16 0.35 -1.14 0.00 0.00 176.83 175.85 3fku n THR 76 N -5.14 0.00 -3.82 -2.27 -2.24 -1.16 -4.99 114.28 94.66 3fku n THR 76 Ca 0.16 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 3fku n THR 76 Cb 0.52 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 3fku n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fku n ARG 77 N 0.42 -3.01 -3.92 -0.78 1.74 0.11 -4.85 116.66 106.37 3fku n ARG 77 Ca 0.14 0.46 -0.10 0.00 -0.77 0.00 0.00 57.85 57.58 3fku n ARG 77 Cb 0.47 -4.54 -0.12 0.00 -1.02 0.00 0.00 32.46 27.25 3fku n ARG 77 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3fku s THR 78 N -3.75 0.07 0.07 0.55 -1.32 -1.02 -1.39 115.64 108.85 3fku s THR 78 Ca 0.14 -0.54 0.08 0.00 -1.21 0.00 0.00 61.69 60.16 3fku s THR 78 Cb -0.05 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 3fku s THR 78 CO 0.86 -0.30 -0.18 0.00 -2.21 0.00 0.00 174.62 172.80 3fku s ALA 79 N -0.89 2.63 0.08 11.08 0.00 0.26 -0.49 121.76 134.42 3fku s ALA 79 Ca -0.10 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.67 3fku s ALA 79 Cb -0.06 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3fku s ALA 79 CO -0.00 0.58 -0.17 0.71 0.00 0.00 0.00 175.76 176.88 3fku s TYR 80 N -1.01 1.46 -0.18 0.00 2.02 0.25 -0.37 117.35 119.51 3fku s TYR 80 Ca 0.16 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3fku s TYR 80 Cb -0.11 -0.82 0.05 0.00 -0.40 0.00 0.00 41.96 40.69 3fku s TYR 80 CO 0.07 0.12 -0.01 1.41 -1.57 0.00 0.00 175.55 175.57 3fku s MET 81 N -1.75 1.01 -0.68 -0.62 -2.45 -0.28 -2.17 119.30 112.37 3fku s MET 81 Ca 0.02 -0.50 -0.14 0.00 -1.25 0.00 0.00 55.69 53.82 3fku s MET 81 Cb -0.10 -2.07 0.17 0.00 1.25 0.00 0.00 34.83 34.08 3fku s MET 81 CO 0.03 -0.55 0.62 0.34 1.05 0.00 0.00 175.02 176.50 3fku s ASP 82 N 1.73 6.39 -0.10 1.11 2.15 -0.60 -2.07 116.67 125.29 3fku s ASP 82 Ca -0.01 -2.28 -0.08 0.00 0.43 0.00 0.00 52.55 50.60 3fku s ASP 82 Cb -0.17 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.23 3fku s ASP 82 CO -0.07 -0.69 0.19 -0.22 -0.17 0.00 0.00 175.17 174.21 3fku s LEU 83 N 0.81 4.40 0.19 -1.34 2.96 -0.46 -0.59 118.68 124.66 3fku s LEU 83 Ca 0.11 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.66 3fku s LEU 83 Cb -0.20 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3fku s LEU 83 CO -0.03 0.39 -0.16 -0.13 -1.32 0.00 0.00 176.35 175.10 3fku s ARG 84 N -1.04 1.33 -2.00 1.98 0.52 -1.21 -1.15 118.95 117.37 3fku s ARG 84 Ca 0.17 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 3fku s ARG 84 Cb -0.13 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.11 3fku s ARG 84 CO 0.06 0.22 0.00 0.43 0.02 0.00 0.00 175.30 176.03 3fku n SER 85 N -0.15 -5.28 -4.68 0.23 7.64 -1.18 -4.87 113.62 105.33 3fku n SER 85 Ca -0.10 0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 3fku n SER 85 Cb 0.59 -4.44 -0.03 0.00 -1.01 0.00 0.00 64.21 59.32 3fku n SER 85 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3fku s LEU 86 N -4.31 4.37 0.00 -3.43 0.05 -1.14 -4.37 118.68 109.84 3fku s LEU 86 Ca 0.00 2.46 0.00 0.00 0.05 0.00 0.00 54.13 56.64 3fku s LEU 86 Cb 0.00 -3.55 0.00 0.00 -2.05 0.00 0.00 46.19 40.59 3fku s LEU 86 CO 0.00 -0.92 0.00 0.54 -0.55 0.00 0.00 176.35 175.42 3fku n ARG 87 N 6.23 2.79 0.10 1.48 3.00 -1.26 -2.62 116.66 126.38 3fku n ARG 87 Ca 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.98 3fku n ARG 87 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 3fku n ARG 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3fku h SER 88 N 0.00 0.00 -0.99 0.55 0.87 -1.89 -3.11 113.55 108.98 3fku h SER 88 Ca 0.00 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 3fku h SER 88 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 3fku h SER 88 CO 0.00 0.76 0.61 -0.08 -0.53 0.00 0.00 176.83 177.60 3fku h GLU 89 N 0.00 0.73 0.00 2.24 4.81 -1.95 -2.31 114.58 118.10 3fku h GLU 89 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3fku h GLU 89 Cb 1.49 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3fku h GLU 89 CO 0.10 0.48 0.00 -0.25 -0.73 0.00 0.00 179.01 178.61 3fku n ASP 90 N -4.70 0.00 -4.71 1.04 9.92 -1.17 -4.77 116.55 112.16 3fku n ASP 90 Ca 0.22 -0.28 -0.42 0.00 -0.53 0.00 0.00 54.79 53.78 3fku n ASP 90 Cb 0.55 -0.16 -0.03 0.00 -0.64 0.00 0.00 41.12 40.85 3fku n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3fku s THR 91 N -2.32 3.09 0.04 -3.53 2.01 -0.87 -4.96 115.64 109.10 3fku s THR 91 Ca 0.24 0.71 -0.24 0.00 0.31 0.00 0.00 61.69 62.71 3fku s THR 91 Cb 0.13 -3.46 0.08 0.00 0.01 0.00 0.00 72.50 69.27 3fku s THR 91 CO 0.27 0.04 1.09 0.00 -0.69 0.00 0.00 174.62 175.32 3fku n ALA 92 N 4.46 -3.01 -2.65 7.40 0.00 -0.82 -4.44 120.51 121.46 3fku n ALA 92 Ca 0.13 -0.79 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 3fku n ALA 92 Cb 0.41 0.25 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 3fku n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3fku s VAL 93 N -2.05 5.22 -0.25 0.00 -7.23 0.61 -1.39 120.40 115.31 3fku s VAL 93 Ca 0.25 0.60 0.01 0.00 -1.81 0.00 0.00 61.98 61.03 3fku s VAL 93 Cb -0.01 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.37 3fku s VAL 93 CO 0.01 0.58 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.96 3fku s TYR 94 N -0.93 3.15 -0.06 2.82 1.51 -0.88 -0.66 117.35 122.30 3fku s TYR 94 Ca 0.20 -2.02 -0.10 0.00 -1.01 0.00 0.00 57.07 54.14 3fku s TYR 94 Cb -0.15 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.68 3fku s TYR 94 CO 0.09 -0.83 0.25 0.71 -1.11 0.00 0.00 175.55 174.66 3fku s TYR 95 N 1.19 3.64 0.32 2.71 2.02 -1.25 -3.00 117.35 122.98 3fku s TYR 95 Ca -0.05 0.69 -0.03 0.00 -0.37 0.00 0.00 57.07 57.32 3fku s TYR 95 Cb -0.18 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 3fku s TYR 95 CO -0.06 0.69 0.56 0.00 -1.57 0.00 0.00 175.55 175.17 3fku s ALA 97 N -2.22 -1.33 -0.02 0.00 0.00 0.20 -2.65 121.76 115.74 3fku s ALA 97 Ca 0.42 1.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.91 3fku s ALA 97 Cb -0.10 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3fku s ALA 97 CO 0.34 -0.34 1.05 0.50 0.00 0.00 0.00 175.76 177.30 3fku s ARG 98 N 1.58 4.48 -0.01 0.00 3.00 0.76 -0.96 118.95 127.79 3fku s ARG 98 Ca -0.09 1.50 -0.09 0.00 -1.00 0.00 0.00 55.73 56.05 3fku s ARG 98 Cb -0.08 -3.47 -0.05 0.00 0.00 0.00 0.00 34.95 31.35 3fku s ARG 98 CO -0.15 -0.19 0.30 0.45 0.00 0.00 0.00 175.30 175.70 3fku s SER 99 N 1.09 6.58 0.10 -2.12 0.15 0.12 -1.21 113.70 118.40 3fku s SER 99 Ca 0.53 0.68 0.20 0.00 0.70 0.00 0.00 55.95 58.06 3fku s SER 99 Cb -0.22 -2.14 0.82 0.00 -1.71 0.00 0.00 66.02 62.77 3fku s SER 99 CO 0.25 0.30 1.62 -0.81 1.20 0.00 0.00 173.24 175.80 3fku n PRO 100 N 1.47 0.08 -3.46 5.44 -0.04 -1.26 -3.57 135.00 133.67 3fku n PRO 100 Ca -0.13 0.27 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 3fku n PRO 100 Cb 0.53 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 3fku n PRO 100 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3fku s SER 101 N -3.51 6.12 0.13 3.54 1.04 -1.26 -4.93 113.70 114.82 3fku s SER 101 Ca 0.07 0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.73 3fku s SER 101 Cb 0.11 -1.68 -0.17 0.00 0.10 0.00 0.00 66.02 64.38 3fku s SER 101 CO 0.36 -0.36 1.30 0.10 0.98 0.00 0.00 173.24 175.61 3fku h TYR 102 N 0.81 0.03 -3.86 5.02 -0.00 -1.87 -1.54 116.97 115.56 3fku h TYR 102 Ca -0.48 -0.02 -0.35 0.00 -0.00 0.00 0.00 58.73 57.87 3fku h TYR 102 Cb 1.24 -0.00 -0.20 0.00 -0.00 0.00 0.00 36.73 37.77 3fku h TYR 102 CO 0.46 0.99 -0.75 -1.50 -0.00 0.00 0.00 178.16 177.35 3fku s ILE 103 N -2.78 0.95 -0.75 -0.90 2.07 -1.26 -3.29 121.20 115.23 3fku s ILE 103 Ca 0.01 -1.38 -0.15 0.00 -1.41 0.00 0.00 60.65 57.71 3fku s ILE 103 Cb 0.10 -1.09 0.19 0.00 0.13 0.00 0.00 42.46 41.79 3fku s ILE 103 CO 0.82 -0.37 0.71 0.00 -1.91 0.00 0.00 174.94 174.19 3fku n SER 105 N 4.55 -0.26 0.00 0.00 3.41 -1.26 -4.65 113.62 115.41 3fku n SER 105 Ca 0.06 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 3fku n SER 105 Cb 0.45 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3fku n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fku n GLY 106 N 0.03 0.10 0.52 5.00 0.00 -1.26 -5.03 105.19 104.55 3fku n GLY 106 Ca -0.09 -0.86 0.38 0.00 0.00 0.00 0.00 46.02 45.45 3fku n GLY 106 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fku h GLY 107 N 0.00 0.74 2.00 -0.02 0.00 -1.88 0.85 103.07 104.76 3fku h GLY 107 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3fku h GLY 107 CO 0.00 -0.19 0.00 -0.91 0.00 0.00 0.00 176.54 175.44 3fku h THR 108 N 0.10 0.00 -0.70 4.70 1.35 -1.96 -3.39 112.91 113.01 3fku h THR 108 Ca 0.75 -0.22 -0.47 0.00 -0.55 0.00 0.00 66.41 65.92 3fku h THR 108 Cb 2.57 0.96 -0.06 0.00 -1.73 0.00 0.00 68.15 69.89 3fku h THR 108 CO -0.23 0.00 1.46 0.00 -0.25 0.00 0.00 175.52 176.50 3fku s VAL 110 N 7.99 2.21 -0.59 0.00 -7.23 -1.26 -4.82 120.40 116.69 3fku s VAL 110 Ca 0.61 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.21 3fku s VAL 110 Cb 0.00 -2.82 0.15 0.00 0.56 0.00 0.00 36.38 34.27 3fku s VAL 110 CO 0.07 0.00 0.35 -0.36 -0.31 0.00 0.00 175.10 174.86 3fku s PHE 111 N -2.62 3.34 0.02 2.82 0.08 -1.26 -3.99 117.98 116.37 3fku s PHE 111 Ca 0.39 -3.24 0.10 0.00 0.12 0.00 0.00 56.93 54.30 3fku s PHE 111 Cb 0.02 -2.78 -0.15 0.00 -0.57 0.00 0.00 43.02 39.53 3fku s PHE 111 CO 0.22 -0.67 1.20 0.38 -0.10 0.00 0.00 175.22 176.26 3fku h ASP 112 N 6.07 0.00 -4.04 1.36 3.04 -1.53 -3.41 116.42 117.91 3fku h ASP 112 Ca 0.01 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.31 3fku h ASP 112 Cb 0.84 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 38.83 3fku h ASP 112 CO 0.70 0.87 -0.81 -1.00 -2.04 0.00 0.00 179.24 176.96 3fku s HIS 113 N -2.76 1.26 0.10 4.15 3.76 -1.23 -4.35 115.29 116.22 3fku s HIS 113 Ca 0.01 -0.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3fku s HIS 113 Cb 0.09 -0.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 3fku s HIS 113 CO 0.80 -0.07 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.86 3fku s TRP 114 N -0.12 1.64 0.36 1.40 0.52 -1.26 -0.17 118.94 121.31 3fku s TRP 114 Ca 0.01 -0.43 -0.06 0.00 0.02 0.00 0.00 56.10 55.64 3fku s TRP 114 Cb -0.07 -0.90 0.09 0.00 -1.15 0.00 0.00 33.47 31.44 3fku s TRP 114 CO 0.00 0.17 0.35 0.41 0.02 0.00 0.00 176.95 177.90 3fku n GLY 115 N 1.09 -2.30 0.09 0.98 0.00 -1.09 -4.58 105.19 99.38 3fku n GLY 115 Ca -0.20 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 3fku n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fku n GLN 116 N -2.40 0.63 0.00 1.61 0.00 -1.25 -4.77 117.38 111.20 3fku n GLN 116 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 57.00 57.27 3fku n GLN 116 Cb 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 28.65 3fku n GLN 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 117 N 1.50 4.24 2.45 2.61 0.00 -1.26 -4.65 105.19 110.07 3fku n GLY 117 Ca -0.15 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 3fku n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fku s THR 118 N -1.23 0.21 -0.48 2.61 2.01 -1.16 -4.62 115.64 112.98 3fku s THR 118 Ca 0.00 -1.97 -0.28 0.00 0.31 0.00 0.00 61.69 59.75 3fku s THR 118 Cb 0.00 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3fku s THR 118 CO 0.00 -1.05 1.77 -0.22 -0.69 0.00 0.00 174.62 174.43 3fku s LEU 119 N 0.79 3.41 -0.20 4.42 2.96 -1.26 -2.06 118.68 126.74 3fku s LEU 119 Ca 0.22 0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 54.79 3fku s LEU 119 Cb -0.16 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.43 3fku s LEU 119 CO -0.04 -1.99 0.18 -0.69 -1.32 0.00 0.00 176.35 172.48 3fku s VAL 120 N 7.73 5.37 0.17 1.68 1.01 -0.48 -4.02 120.40 131.85 3fku s VAL 120 Ca 0.71 0.27 0.10 0.00 0.00 0.00 0.00 61.98 63.06 3fku s VAL 120 Cb -0.17 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3fku s VAL 120 CO 0.27 0.40 -0.17 -0.89 0.00 0.00 0.00 175.10 174.72 3fku s THR 121 N 0.57 2.82 -0.16 3.92 2.01 -1.20 -1.94 115.64 121.65 3fku s THR 121 Ca 0.10 -1.75 -0.00 0.00 0.31 0.00 0.00 61.69 60.35 3fku s THR 121 Cb -0.12 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 70.07 3fku s THR 121 CO 0.01 -0.06 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.12 3fku s VAL 122 N -1.55 1.21 0.57 3.82 1.01 -1.26 -1.25 120.40 122.96 3fku s VAL 122 Ca 0.22 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3fku s VAL 122 Cb -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3fku s VAL 122 CO 0.12 0.19 1.13 -0.44 0.00 0.00 0.00 175.10 176.10 3fku s SER 123 N 1.60 5.56 0.15 3.32 0.01 0.67 -4.75 113.70 120.26 3fku s SER 123 Ca 0.01 2.13 -0.14 0.00 1.31 0.00 0.00 55.95 59.27 3fku s SER 123 Cb -0.15 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 3fku s SER 123 CO -0.08 -1.33 0.54 -0.94 0.41 0.00 0.00 173.24 171.84 3fku s SER 124 N -1.98 6.80 0.00 2.44 1.04 -1.26 -3.82 113.70 116.92 3fku s SER 124 Ca 0.71 1.05 0.00 0.00 0.48 0.00 0.00 55.95 58.19 3fku s SER 124 Cb -0.23 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.61 3fku s SER 124 CO 0.31 0.09 0.00 2.30 0.98 0.00 0.00 173.24 176.92 3fku n ILE 139 N 0.73 0.00 -3.09 -1.02 -5.35 -1.26 -4.84 119.36 104.53 3fku n ILE 139 Ca -0.05 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.46 3fku n ILE 139 Cb 0.52 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.42 3fku n ILE 139 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3fku s GLN 140 N -0.49 0.48 0.79 6.28 2.00 -1.26 -5.17 119.66 122.28 3fku s GLN 140 Ca 0.00 0.10 -0.13 0.00 -2.00 0.00 0.00 55.36 53.33 3fku s GLN 140 Cb 0.00 0.12 0.07 0.00 0.80 0.00 0.00 33.01 34.00 3fku s GLN 140 CO 0.00 -0.77 1.18 -2.14 -0.50 0.00 0.00 175.29 173.05 3fku s PRO 141 N 2.39 1.84 0.00 1.67 0.02 -1.26 -4.99 135.00 134.67 3fku s PRO 141 Ca 0.16 1.63 0.09 0.00 0.02 0.00 0.00 61.00 62.90 3fku s PRO 141 Cb -0.04 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3fku s PRO 141 CO -0.17 -2.03 0.63 0.41 -0.33 0.00 0.00 177.00 175.50 3fku n GLY 142 N 0.15 -0.27 3.16 0.52 0.00 -1.03 -5.01 105.19 102.71 3fku n GLY 142 Ca 0.12 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3fku n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 143 N -1.33 2.48 -0.29 0.99 1.43 -0.98 -4.86 118.68 116.13 3fku s LEU 143 Ca 0.08 -1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.06 3fku s LEU 143 Cb 0.07 -0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 3fku s LEU 143 CO 0.19 -0.49 0.16 -0.89 0.23 0.00 0.00 176.35 175.55 3fku s THR 144 N -3.66 4.87 -0.11 5.49 2.01 -0.84 -3.44 115.64 119.96 3fku s THR 144 Ca 0.12 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 3fku s THR 144 Cb 0.06 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 69.22 3fku s THR 144 CO -0.05 0.18 0.03 -1.10 -0.69 0.00 0.00 174.62 172.99 3fku s GLN 145 N 1.68 0.44 0.26 4.92 -0.21 -1.26 -2.19 119.66 123.30 3fku s GLN 145 Ca 0.06 0.01 -0.26 0.00 0.02 0.00 0.00 55.36 55.18 3fku s GLN 145 Cb -0.16 -1.27 -0.16 0.00 1.00 0.00 0.00 33.01 32.41 3fku s GLN 145 CO 0.08 -0.43 0.49 -0.35 -2.12 0.00 0.00 175.29 172.95 3fku n PRO 146 N 5.17 0.17 0.20 2.91 -0.04 -1.26 -4.63 135.00 137.52 3fku n PRO 146 Ca -0.07 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3fku n PRO 146 Cb 0.49 -1.12 0.14 0.00 -0.04 0.00 0.00 33.50 32.97 3fku n PRO 146 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3fku h PRO 147 N 0.96 0.00 -3.64 0.54 0.13 -1.98 -3.36 132.00 124.66 3fku h PRO 147 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.62 3fku h PRO 147 Cb 1.43 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.30 3fku h PRO 147 CO 0.55 0.08 -0.63 -1.12 -0.23 0.00 0.00 178.00 176.65 3fku s SER 148 N -6.21 -0.00 -0.04 1.44 0.01 -1.26 -1.78 113.70 105.85 3fku s SER 148 Ca 0.06 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 3fku s SER 148 Cb 0.06 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.46 3fku s SER 148 CO 0.69 -0.12 0.08 -0.69 0.41 0.00 0.00 173.24 173.62 3fku s VAL 149 N -0.41 -0.07 -0.23 3.43 1.01 -0.45 -4.87 120.40 118.83 3fku s VAL 149 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3fku s VAL 149 Cb -0.03 -0.16 0.06 0.00 0.00 0.00 0.00 36.38 36.25 3fku s VAL 149 CO 0.00 0.09 -0.01 -0.44 0.00 0.00 0.00 175.10 174.74 3fku s SER 150 N 1.21 3.54 0.06 3.32 0.01 -1.26 -0.61 113.70 119.97 3fku s SER 150 Ca -0.08 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.12 3fku s SER 150 Cb -0.12 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.12 3fku s SER 150 CO -0.04 -0.27 -0.10 -0.54 0.41 0.00 0.00 173.24 172.70 3fku s LYS 151 N 1.56 0.67 0.47 12.44 1.02 -0.85 -4.98 119.74 130.07 3fku s LYS 151 Ca -0.03 -0.90 -0.19 0.00 0.02 0.00 0.00 55.97 54.87 3fku s LYS 151 Cb -0.18 -0.47 -0.09 0.00 -0.52 0.00 0.00 37.83 36.57 3fku s LYS 151 CO -0.08 0.09 0.97 0.20 -0.92 0.00 0.00 175.35 175.61 3fku s GLY 152 N -1.83 2.28 0.09 -3.33 0.00 -1.26 -2.35 107.32 100.92 3fku s GLY 152 Ca -0.04 0.34 -0.35 0.00 0.00 0.00 0.00 44.72 44.67 3fku s GLY 152 CO 0.01 0.63 0.93 -0.10 0.00 0.00 0.00 173.10 174.56 3fku n LEU 153 N -1.04 -0.06 0.00 0.66 7.94 -1.21 -0.69 117.00 122.59 3fku n LEU 153 Ca 0.07 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3fku n LEU 153 Cb 0.54 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3fku n LEU 153 CO 0.41 -2.10 0.00 -1.14 -1.11 0.00 0.00 177.39 173.45 3fku n ARG 154 N 1.43 -0.12 -0.10 1.96 0.63 0.84 -4.88 116.66 116.42 3fku n ARG 154 Ca 0.18 0.03 -0.03 0.00 -0.92 0.00 0.00 57.85 57.12 3fku n ARG 154 Cb 0.16 -3.91 0.02 0.00 0.45 0.00 0.00 32.46 29.19 3fku n ARG 154 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3fku n GLN 155 N -1.85 -1.19 -4.33 -0.14 1.13 0.13 -4.19 117.38 106.92 3fku n GLN 155 Ca 0.00 -0.16 -0.25 0.00 -1.94 0.00 0.00 57.00 54.65 3fku n GLN 155 Cb 0.03 -0.15 -0.13 0.00 0.11 0.00 0.00 30.24 30.10 3fku n GLN 155 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3fku s THR 156 N -1.18 1.85 0.17 5.09 -4.23 -1.26 -0.18 115.64 115.89 3fku s THR 156 Ca 0.07 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 3fku s THR 156 Cb -0.01 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 3fku s THR 156 CO 0.05 -0.01 -0.22 0.00 -0.54 0.00 0.00 174.62 173.91 3fku s ALA 157 N -1.12 2.24 -0.23 3.99 0.00 0.62 -4.97 121.76 122.29 3fku s ALA 157 Ca 0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 3fku s ALA 157 Cb -0.10 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 22.83 3fku s ALA 157 CO 0.05 0.36 0.09 0.99 0.00 0.00 0.00 175.76 177.24 3fku s THR 158 N -1.71 0.20 -0.10 0.00 2.01 -1.26 -1.12 115.64 113.66 3fku s THR 158 Ca 0.17 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 3fku s THR 158 Cb -0.07 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 3fku s THR 158 CO 0.08 -0.45 0.28 -0.76 -0.69 0.00 0.00 174.62 173.07 3fku s LEU 159 N 1.99 4.37 -0.01 4.42 1.02 -0.35 -4.98 118.68 125.14 3fku s LEU 159 Ca 0.04 0.64 0.07 0.00 0.02 0.00 0.00 54.13 54.90 3fku s LEU 159 Cb -0.16 -2.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.69 3fku s LEU 159 CO -0.19 0.28 -0.22 0.42 0.02 0.00 0.00 176.35 176.65 3fku s THR 160 N -0.52 1.78 -0.09 5.49 -4.23 -1.26 -1.49 115.64 115.32 3fku s THR 160 Ca 0.18 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3fku s THR 160 Cb -0.14 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.24 3fku s THR 160 CO 0.07 0.49 -0.11 0.00 -0.54 0.00 0.00 174.62 174.53 3fku s THR 162 N 1.12 3.02 0.00 0.00 2.01 -0.93 -0.07 115.64 120.79 3fku s THR 162 Ca -0.06 -1.46 0.00 0.00 0.31 0.00 0.00 61.69 60.49 3fku s THR 162 Cb -0.14 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.96 3fku s THR 162 CO -0.02 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 3fku n GLY 163 N 0.69 4.22 0.00 4.40 0.00 0.21 -1.99 105.19 112.72 3fku n GLY 163 Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3fku n GLY 163 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fku n ASN 164 N 0.00 0.00 0.18 1.61 0.23 -1.26 -4.79 115.26 111.24 3fku n ASN 164 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 3fku n ASN 164 Cb 0.00 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.03 3fku n ASN 164 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3fku h SER 165 N 0.00 0.00 0.59 0.53 0.87 -1.95 0.14 113.55 113.73 3fku h SER 165 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3fku h SER 165 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3fku h SER 165 CO 0.00 0.40 -0.09 0.59 -0.53 0.00 0.00 176.83 177.20 3fku n ASN 166 N -3.67 0.21 0.00 6.23 3.02 -1.26 -3.23 115.26 116.57 3fku n ASN 166 Ca -0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3fku n ASN 166 Cb 0.50 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 3fku n ASN 166 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3fku n ASN 167 N -1.25 0.00 0.08 6.41 0.23 -1.10 -0.19 115.26 119.44 3fku n ASN 167 Ca 0.12 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.21 3fku n ASN 167 Cb 0.29 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.44 3fku n ASN 167 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fku h VAL 168 N 0.00 1.11 -0.30 3.53 2.07 -1.79 -0.72 116.25 120.15 3fku h VAL 168 Ca 0.00 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.21 3fku h VAL 168 Cb 0.00 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 3fku h VAL 168 CO 0.00 0.13 -0.53 1.23 0.02 0.00 0.00 177.57 178.43 3fku h GLY 169 N 0.51 -1.08 0.00 2.17 0.00 -0.77 -3.15 103.07 100.75 3fku h GLY 169 Ca 0.09 0.71 -0.19 0.00 0.00 0.00 0.00 47.33 47.94 3fku h GLY 169 CO -0.01 -0.17 -1.48 0.70 0.00 0.00 0.00 176.54 175.58 3fku n ASN 170 N -5.24 1.91 0.17 0.19 5.03 -1.01 -4.66 115.26 111.65 3fku n ASN 170 Ca -0.04 0.39 0.04 0.00 0.87 0.00 0.00 54.58 55.85 3fku n ASN 170 Cb 0.33 -0.82 0.22 0.00 -1.02 0.00 0.00 39.78 38.50 3fku n ASN 170 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3fku h GLN 171 N -1.00 0.00 0.00 3.52 7.50 -1.33 -3.50 115.11 120.30 3fku h GLN 171 Ca -0.28 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.87 3fku h GLN 171 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 3fku h GLN 171 CO -0.17 0.43 0.00 0.41 -1.50 0.00 0.00 178.83 178.00 3fku n GLY 172 N 0.61 -1.56 3.34 3.46 0.00 -1.17 -4.84 105.19 105.03 3fku n GLY 172 Ca 0.01 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 3fku n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku s ALA 173 N -1.81 1.95 -0.03 4.61 0.00 -1.26 -4.59 121.76 120.64 3fku s ALA 173 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.29 3fku s ALA 173 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.17 3fku s ALA 173 CO 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 175.76 175.70 3fku s ALA 174 N -3.08 0.58 0.38 0.00 0.00 -0.24 -4.21 121.76 115.19 3fku s ALA 174 Ca 0.23 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.10 3fku s ALA 174 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3fku s ALA 174 CO 0.07 0.05 0.55 -1.58 0.00 0.00 0.00 175.76 174.85 3fku s TRP 175 N 0.44 3.16 -0.20 0.00 0.52 -1.24 -0.31 118.94 121.32 3fku s TRP 175 Ca -0.06 -0.03 -0.11 0.00 0.02 0.00 0.00 56.10 55.92 3fku s TRP 175 Cb -0.09 -2.12 0.06 0.00 -1.15 0.00 0.00 33.47 30.17 3fku s TRP 175 CO -0.00 -0.15 0.48 -0.51 0.02 0.00 0.00 176.95 176.79 3fku s LEU 176 N -4.33 -0.28 -0.12 2.99 1.43 0.43 -2.88 118.68 115.92 3fku s LEU 176 Ca 0.46 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.54 3fku s LEU 176 Cb -0.10 1.62 -0.04 0.00 0.03 0.00 0.00 46.19 47.70 3fku s LEU 176 CO 0.34 -0.20 0.12 -1.58 0.23 0.00 0.00 176.35 175.26 3fku s GLN 177 N 1.38 3.46 -0.19 1.70 0.74 -0.52 -0.80 119.66 125.43 3fku s GLN 177 Ca -0.09 -0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.10 3fku s GLN 177 Cb -0.07 -3.16 0.08 0.00 1.10 0.00 0.00 33.01 30.95 3fku s GLN 177 CO -0.14 0.72 0.15 -1.14 -0.55 0.00 0.00 175.29 174.34 3fku s GLN 178 N -0.88 0.12 0.42 1.67 0.74 -0.30 -1.01 119.66 120.43 3fku s GLN 178 Ca 0.14 0.05 -0.21 0.00 0.05 0.00 0.00 55.36 55.39 3fku s GLN 178 Cb -0.12 -1.53 -0.11 0.00 1.10 0.00 0.00 33.01 32.35 3fku s GLN 178 CO 0.03 -0.66 0.94 -1.01 -0.55 0.00 0.00 175.29 174.04 3fku s HIS 179 N 2.23 3.34 0.06 1.67 3.76 -1.26 -0.00 115.29 125.09 3fku s HIS 179 Ca 0.04 1.61 -0.36 0.00 -0.15 0.00 0.00 55.06 56.21 3fku s HIS 179 Cb -0.16 -2.85 -0.15 0.00 1.11 0.00 0.00 32.58 30.54 3fku s HIS 179 CO -0.11 -0.08 1.55 0.94 -0.85 0.00 0.00 174.74 176.19 3fku n GLN 180 N -0.55 1.70 0.00 1.40 0.00 -1.26 -2.51 117.38 116.16 3fku n GLN 180 Ca 0.07 0.62 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 3fku n GLN 180 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.43 3fku n GLN 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 181 N 3.30 2.57 3.77 1.69 0.00 -1.26 -5.02 105.19 110.24 3fku n GLY 181 Ca 0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3fku n GLY 181 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fku s HIS 182 N 0.00 2.64 0.73 1.61 3.76 -1.04 -5.05 115.29 117.93 3fku s HIS 182 Ca 0.00 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.34 3fku s HIS 182 Cb 0.00 -3.03 0.03 0.00 1.11 0.00 0.00 32.58 30.69 3fku s HIS 182 CO 0.00 -1.73 1.07 -1.25 -0.85 0.00 0.00 174.74 171.98 3fku s PRO 183 N -4.91 2.69 1.05 8.40 0.04 -1.26 -4.62 135.00 136.38 3fku s PRO 183 Ca 0.61 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 3fku s PRO 183 Cb -0.17 -1.98 0.22 0.00 0.04 0.00 0.00 34.50 32.61 3fku s PRO 183 CO 0.56 -1.23 1.11 -2.14 0.04 0.00 0.00 177.00 175.34 3fku s PRO 184 N -5.12 -0.02 0.14 0.56 0.02 -1.26 -4.74 135.00 124.57 3fku s PRO 184 Ca 0.59 0.25 -0.08 0.00 0.02 0.00 0.00 61.00 61.78 3fku s PRO 184 Cb -0.14 -1.71 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 3fku s PRO 184 CO 0.54 -2.98 0.24 -1.59 -0.33 0.00 0.00 177.00 172.88 3fku s LYS 185 N -5.18 1.04 -0.18 5.54 -2.85 -0.18 -4.73 119.74 113.21 3fku s LYS 185 Ca 0.67 -1.13 -0.21 0.00 -1.00 0.00 0.00 55.97 54.30 3fku s LYS 185 Cb -0.15 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 3fku s LYS 185 CO 0.56 -0.36 0.64 -1.17 0.10 0.00 0.00 175.35 175.13 3fku s LEU 186 N -2.94 4.17 -0.07 2.77 2.96 -1.26 -1.43 118.68 122.87 3fku s LEU 186 Ca 0.14 0.89 0.12 0.00 -0.22 0.00 0.00 54.13 55.06 3fku s LEU 186 Cb 0.04 -2.92 -0.23 0.00 0.50 0.00 0.00 46.19 43.57 3fku s LEU 186 CO -0.03 -0.25 0.55 0.18 -1.32 0.00 0.00 176.35 175.47 3fku n LEU 187 N 4.87 0.89 -3.58 -0.68 4.77 -1.14 -4.81 117.00 117.32 3fku n LEU 187 Ca -0.01 0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 3fku n LEU 187 Cb 0.50 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3fku n LEU 187 CO 0.45 0.44 0.28 -0.94 -1.33 0.00 0.00 177.39 176.28 3fku s SER 188 N -6.07 -0.44 0.71 -1.43 1.04 -1.25 -4.34 113.70 101.92 3fku s SER 188 Ca -0.07 0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 3fku s SER 188 Cb 0.08 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.78 3fku s SER 188 CO 0.82 -0.71 1.00 -0.31 0.98 0.00 0.00 173.24 175.01 3fku s TYR 189 N -2.41 2.29 0.47 5.02 1.51 -0.81 -3.62 117.35 119.81 3fku s TYR 189 Ca -0.05 0.09 0.18 0.00 -1.01 0.00 0.00 57.07 56.27 3fku s TYR 189 Cb -0.01 -3.15 1.17 0.00 -0.11 0.00 0.00 41.96 39.86 3fku s TYR 189 CO -0.01 -1.56 2.01 -0.09 -1.11 0.00 0.00 175.55 174.78 3fku h ARG 190 N -0.57 0.23 -0.45 -0.62 2.43 -1.89 0.33 114.38 113.84 3fku h ARG 190 Ca -0.41 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3fku h ARG 190 Cb 1.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3fku h ARG 190 CO 0.49 0.15 0.00 0.27 -1.51 0.00 0.00 179.97 179.37 3fku n ASN 191 N -4.45 2.10 -1.59 -3.80 6.94 -1.26 -4.27 115.26 108.92 3fku n ASN 191 Ca 0.08 -2.10 -0.17 0.00 -0.02 0.00 0.00 54.58 52.37 3fku n ASN 191 Cb 0.41 -0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.45 3fku n ASN 191 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3fku n ASN 192 N 0.42 -4.63 -4.77 0.53 4.13 0.12 -4.97 115.26 106.09 3fku n ASN 192 Ca 0.11 0.40 -0.38 0.00 1.68 0.00 0.00 54.58 56.39 3fku n ASN 192 Cb 0.38 -4.14 -0.06 0.00 -1.54 0.00 0.00 39.78 34.41 3fku n ASN 192 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3fku s ASP 193 N -2.43 7.46 -0.05 6.41 -0.00 -1.26 -4.56 116.67 122.24 3fku s ASP 193 Ca 0.00 1.85 -0.13 0.00 -0.00 0.00 0.00 52.55 54.27 3fku s ASP 193 Cb 0.00 -2.58 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 3fku s ASP 193 CO 0.00 0.06 0.32 0.00 -0.00 0.00 0.00 175.17 175.55 3fku s ARG 194 N -1.61 3.83 1.09 8.23 1.70 -1.26 -1.92 118.95 129.01 3fku s ARG 194 Ca 0.45 0.23 -0.14 0.00 -0.47 0.00 0.00 55.73 55.80 3fku s ARG 194 Cb -0.22 -3.24 0.18 0.00 -0.57 0.00 0.00 34.95 31.10 3fku s ARG 194 CO 0.27 0.66 0.66 -2.30 -1.08 0.00 0.00 175.30 173.52 3fku n PRO 195 N 2.08 -1.63 0.14 3.89 -0.02 -1.26 -4.93 135.00 133.27 3fku n PRO 195 Ca -0.15 -0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 60.75 3fku n PRO 195 Cb 0.53 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3fku n PRO 195 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fku h SER 196 N -2.25 -0.77 -0.68 2.55 4.64 -1.98 -3.15 113.55 111.91 3fku h SER 196 Ca -0.54 0.08 0.11 0.00 -0.47 0.00 0.00 61.79 60.97 3fku h SER 196 Cb 1.32 0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 63.59 3fku h SER 196 CO 0.43 -0.38 -0.26 0.61 -0.87 0.00 0.00 176.83 176.36 3fku n GLY 197 N -1.39 -1.39 3.82 -0.77 0.00 -1.26 -4.72 105.19 99.48 3fku n GLY 197 Ca -0.07 0.76 -0.35 0.00 0.00 0.00 0.00 46.02 46.36 3fku n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fku s ILE 198 N -5.65 4.50 0.91 -0.61 -1.09 -1.19 -5.03 121.20 113.04 3fku s ILE 198 Ca -0.09 1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 59.54 3fku s ILE 198 Cb 0.14 -3.78 0.14 0.00 -1.58 0.00 0.00 42.46 37.38 3fku s ILE 198 CO 0.49 0.01 1.09 -0.94 -1.23 0.00 0.00 174.94 174.35 3fku s SER 199 N -1.90 3.36 0.00 3.58 1.04 -1.26 -4.93 113.70 113.59 3fku s SER 199 Ca 0.50 1.47 0.28 0.00 0.48 0.00 0.00 55.95 58.69 3fku s SER 199 Cb -0.14 -2.15 1.09 0.00 0.10 0.00 0.00 66.02 64.92 3fku s SER 199 CO 0.19 -2.71 1.79 -1.84 0.98 0.00 0.00 173.24 171.66 3fku n GLU 200 N -3.93 0.40 -0.04 4.02 0.00 -1.26 -3.17 120.64 116.66 3fku n GLU 200 Ca 0.07 -0.14 0.11 0.00 0.00 0.00 0.00 57.16 57.20 3fku n GLU 200 Cb 0.55 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.98 3fku n GLU 200 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3fku n ARG 201 N -1.18 1.47 -3.50 3.44 1.85 -1.26 -4.34 116.66 113.13 3fku n ARG 201 Ca 0.11 -0.70 -0.40 0.00 -1.00 0.00 0.00 57.85 55.86 3fku n ARG 201 Cb 0.30 -1.39 -0.03 0.00 -1.05 0.00 0.00 32.46 30.29 3fku n ARG 201 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fku s PHE 202 N -1.89 4.07 -0.08 2.89 0.08 -1.19 -1.07 117.98 120.79 3fku s PHE 202 Ca 0.33 -2.88 -0.04 0.00 0.12 0.00 0.00 56.93 54.47 3fku s PHE 202 Cb 0.17 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 3fku s PHE 202 CO 0.27 -0.84 0.09 -1.54 -0.10 0.00 0.00 175.22 173.10 3fku s SER 203 N 0.53 5.90 0.07 1.36 1.04 -1.05 -4.95 113.70 116.60 3fku s SER 203 Ca 0.29 0.30 0.08 0.00 0.48 0.00 0.00 55.95 57.11 3fku s SER 203 Cb -0.08 -1.80 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 3fku s SER 203 CO -0.10 0.37 -0.23 0.00 0.98 0.00 0.00 173.24 174.26 3fku s ALA 204 N -1.03 1.94 0.08 5.32 0.00 -1.26 -0.62 121.76 126.19 3fku s ALA 204 Ca 0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3fku s ALA 204 Cb -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3fku s ALA 204 CO 0.06 0.43 0.13 -1.13 0.00 0.00 0.00 175.76 175.26 3fku n SER 205 N 1.52 -0.38 -3.73 0.00 3.41 -0.10 -4.79 113.62 109.55 3fku n SER 205 Ca -0.18 -1.42 -0.14 0.00 -0.26 0.00 0.00 58.87 56.88 3fku n SER 205 Cb 0.53 0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 65.08 3fku n SER 205 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fku s ARG 206 N -2.13 0.73 -0.38 4.33 3.52 -1.26 -0.93 118.95 122.82 3fku s ARG 206 Ca 0.06 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 3fku s ARG 206 Cb -0.01 0.33 0.15 0.00 -1.56 0.00 0.00 34.95 33.86 3fku s ARG 206 CO 0.04 -0.21 0.30 -1.12 -0.81 0.00 0.00 175.30 173.50 3fku s SER 207 N -1.42 1.98 0.07 -2.12 0.01 -1.14 -4.97 113.70 106.12 3fku s SER 207 Ca -0.12 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 54.87 3fku s SER 207 Cb -0.04 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.09 3fku s SER 207 CO 0.04 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.05 3fku n GLY 208 N 3.73 1.59 0.03 3.44 0.00 -1.26 -2.06 105.19 110.66 3fku n GLY 208 Ca 0.17 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.40 3fku n GLY 208 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fku n ASN 209 N 5.55 1.96 -3.63 1.61 3.02 -1.26 -3.49 115.26 119.02 3fku n ASN 209 Ca 0.00 -2.27 -0.29 0.00 -0.03 0.00 0.00 54.58 51.98 3fku n ASN 209 Cb 0.00 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 38.91 3fku n ASN 209 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fku s THR 210 N -1.48 0.95 0.25 3.41 2.01 -0.87 -0.62 115.64 119.28 3fku s THR 210 Ca 0.09 -2.19 -0.30 0.00 0.31 0.00 0.00 61.69 59.60 3fku s THR 210 Cb 0.08 -1.67 -0.09 0.00 0.01 0.00 0.00 72.50 70.83 3fku s THR 210 CO 0.01 -0.91 0.98 0.00 -0.69 0.00 0.00 174.62 174.00 3fku s ALA 211 N 0.68 3.35 -0.02 7.40 0.00 0.90 -2.89 121.76 131.17 3fku s ALA 211 Ca 0.17 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 3fku s ALA 211 Cb -0.24 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3fku s ALA 211 CO -0.01 0.13 0.03 -1.12 0.00 0.00 0.00 175.76 174.78 3fku s SER 212 N -1.11 0.24 -0.28 0.00 0.01 -0.11 -0.74 113.70 111.71 3fku s SER 212 Ca 0.42 0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.62 3fku s SER 212 Cb -0.27 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 3fku s SER 212 CO 0.34 -0.14 0.13 -0.22 0.41 0.00 0.00 173.24 173.77 3fku s LEU 213 N 1.17 3.85 -0.30 2.44 2.96 -0.55 -0.93 118.68 127.32 3fku s LEU 213 Ca -0.08 -0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 3fku s LEU 213 Cb -0.13 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3fku s LEU 213 CO -0.03 -0.10 0.29 -0.89 -1.32 0.00 0.00 176.35 174.30 3fku s THR 214 N 1.65 5.23 -0.29 3.68 2.01 0.21 -1.21 115.64 126.93 3fku s THR 214 Ca 0.06 0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 3fku s THR 214 Cb -0.16 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3fku s THR 214 CO 0.07 0.11 0.26 -0.63 -0.69 0.00 0.00 174.62 173.74 3fku s ILE 215 N 1.91 5.26 0.14 1.82 1.01 -0.28 -2.54 121.20 128.53 3fku s ILE 215 Ca 0.10 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.99 3fku s ILE 215 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3fku s ILE 215 CO 0.11 0.15 0.18 0.42 0.00 0.00 0.00 174.94 175.80 3fku s THR 216 N 1.86 4.82 -1.10 2.92 -4.23 -0.23 0.23 115.64 119.91 3fku s THR 216 Ca 0.09 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3fku s THR 216 Cb -0.16 -3.45 -0.05 0.00 1.34 0.00 0.00 72.50 70.19 3fku s THR 216 CO 0.11 -0.06 0.92 0.61 -0.54 0.00 0.00 174.62 175.66 3fku n GLY 217 N -0.27 -0.92 3.62 3.99 0.00 -0.84 -4.82 105.19 105.95 3fku n GLY 217 Ca -0.08 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3fku n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fku n LEU 218 N -3.56 2.67 -4.02 0.99 4.77 0.75 -4.67 117.00 113.93 3fku n LEU 218 Ca -0.14 1.05 -0.08 0.00 -0.03 0.00 0.00 56.01 56.82 3fku n LEU 218 Cb 0.63 -1.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.27 3fku n LEU 218 CO 0.60 -1.40 -0.29 -1.10 -1.33 0.00 0.00 177.39 173.88 3fku s GLN 219 N -1.99 0.66 0.26 3.23 -1.52 -1.26 -0.11 119.66 118.92 3fku s GLN 219 Ca 0.62 -1.11 -0.11 0.00 -1.95 0.00 0.00 55.36 52.81 3fku s GLN 219 Cb -0.56 0.24 0.37 0.00 -0.22 0.00 0.00 33.01 32.84 3fku s GLN 219 CO 0.57 -0.15 1.57 -1.00 -0.25 0.00 0.00 175.29 176.03 3fku h PRO 220 N 3.13 -0.01 -0.84 2.91 0.13 -1.97 0.12 132.00 135.47 3fku h PRO 220 Ca -0.34 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.05 3fku h PRO 220 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 3fku h PRO 220 CO 0.62 -0.01 0.12 0.39 -0.23 0.00 0.00 178.00 178.89 3fku n GLU 221 N -5.56 -0.06 0.24 0.86 4.71 -1.26 -3.31 120.64 116.26 3fku n GLU 221 Ca 0.13 1.24 0.14 0.00 -0.01 0.00 0.00 57.16 58.66 3fku n GLU 221 Cb 0.45 -2.03 0.39 0.00 -1.01 0.00 0.00 31.44 29.24 3fku n GLU 221 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3fku h ASP 222 N 0.00 0.00 -3.13 1.62 3.32 -1.17 -3.43 116.42 113.63 3fku h ASP 222 Ca 0.56 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 57.04 3fku h ASP 222 Cb 1.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 3fku h ASP 222 CO -0.76 0.00 0.98 -1.83 -1.72 0.00 0.00 179.24 175.91 3fku s GLU 223 N -3.39 3.90 0.00 3.56 -1.05 -1.21 -4.85 118.70 115.65 3fku s GLU 223 Ca 0.05 1.25 0.00 0.00 -0.15 0.00 0.00 54.97 56.12 3fku s GLU 223 Cb 0.07 -3.89 0.00 0.00 -0.44 0.00 0.00 34.13 29.87 3fku s GLU 223 CO 0.61 -1.14 0.00 0.00 0.95 0.00 0.00 175.26 175.68 3fku n ALA 224 N 7.70 0.00 -2.52 -0.84 0.00 -1.25 -4.95 120.51 118.66 3fku n ALA 224 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 3fku n ALA 224 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 3fku n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fku s ASP 225 N 2.00 6.30 -0.02 0.00 1.01 1.00 -1.95 116.67 125.01 3fku s ASP 225 Ca 0.00 0.63 -0.00 0.00 0.71 0.00 0.00 52.55 53.89 3fku s ASP 225 Cb 0.00 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.85 3fku s ASP 225 CO 0.00 -0.38 0.04 -0.31 0.21 0.00 0.00 175.17 174.73 3fku s TYR 226 N -2.44 0.02 -0.06 4.23 1.51 -1.13 -1.16 117.35 118.33 3fku s TYR 226 Ca 0.43 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.70 3fku s TYR 226 Cb -0.10 -0.26 -0.00 0.00 -0.11 0.00 0.00 41.96 41.48 3fku s TYR 226 CO 0.38 -0.11 -0.20 0.71 -1.11 0.00 0.00 175.55 175.22 3fku s TYR 227 N 1.22 2.07 0.34 2.71 2.02 0.01 -3.20 117.35 122.52 3fku s TYR 227 Ca -0.07 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 3fku s TYR 227 Cb -0.13 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3fku s TYR 227 CO -0.03 -0.24 0.58 0.00 -1.57 0.00 0.00 175.55 174.29 3fku s SER 229 N -3.60 -0.29 0.23 0.00 1.04 0.58 -2.50 113.70 109.15 3fku s SER 229 Ca 0.43 0.39 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 3fku s SER 229 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3fku s SER 229 CO 0.34 -0.32 0.46 -0.89 0.98 0.00 0.00 173.24 173.81 3fku s THR 230 N -0.68 0.01 -0.07 2.02 2.01 -1.06 -1.08 115.64 116.79 3fku s THR 230 Ca -0.08 -1.29 -0.27 0.00 0.31 0.00 0.00 61.69 60.36 3fku s THR 230 Cb -0.04 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 3fku s THR 230 CO 0.03 -0.07 0.89 0.86 -0.69 0.00 0.00 174.62 175.64 3fku s TRP 231 N -3.98 3.56 -0.33 4.92 -0.11 -1.26 -1.50 118.94 120.25 3fku s TRP 231 Ca 0.19 1.48 -0.10 0.00 1.22 0.00 0.00 56.10 58.89 3fku s TRP 231 Cb -0.00 -3.03 -0.00 0.00 -1.50 0.00 0.00 33.47 28.93 3fku s TRP 231 CO 0.06 -0.07 0.17 0.34 -4.62 0.00 0.00 176.95 172.82 3fku s ASP 232 N 1.00 5.61 0.00 5.86 3.68 0.39 -4.21 116.67 129.00 3fku s ASP 232 Ca 0.45 -0.62 0.27 0.00 2.13 0.00 0.00 52.55 54.78 3fku s ASP 232 Cb -0.19 -2.01 1.51 0.00 -1.45 0.00 0.00 42.92 40.78 3fku s ASP 232 CO 0.20 -0.24 1.98 -1.54 0.13 0.00 0.00 175.17 175.71 3fku n SER 233 N 4.99 0.33 -0.04 -0.34 3.41 0.73 -2.24 113.62 120.45 3fku n SER 233 Ca -0.13 -1.23 0.11 0.00 -0.26 0.00 0.00 58.87 57.36 3fku n SER 233 Cb 0.48 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.52 3fku n SER 233 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fku n SER 234 N -0.69 0.81 0.00 4.04 3.41 -1.26 -4.33 113.62 115.61 3fku n SER 234 Ca 0.20 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3fku n SER 234 Cb 0.15 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 3fku n SER 234 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fku n LEU 235 N -1.38 0.50 -3.91 1.04 4.77 -1.05 -5.02 117.00 111.96 3fku n LEU 235 Ca 0.05 -0.65 -0.26 0.00 -0.03 0.00 0.00 56.01 55.12 3fku n LEU 235 Cb 0.34 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3fku n LEU 235 CO 0.38 0.13 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.15 3fku n SER 236 N -0.29 -0.89 -3.67 -1.43 7.64 -0.95 -4.57 113.62 109.46 3fku n SER 236 Ca 0.00 -1.00 -0.11 0.00 1.01 0.00 0.00 58.87 58.77 3fku n SER 236 Cb 0.03 -3.14 -0.06 0.00 -1.01 0.00 0.00 64.21 60.04 3fku n SER 236 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fku s ALA 237 N -3.89 -0.91 0.01 -0.43 0.00 -1.07 -4.77 121.76 110.70 3fku s ALA 237 Ca 0.05 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 3fku s ALA 237 Cb -0.02 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 3fku s ALA 237 CO 0.88 -0.55 0.63 0.08 0.00 0.00 0.00 175.76 176.80 3fku s VAL 238 N -3.20 4.87 0.13 0.00 1.01 -1.26 -0.46 120.40 121.49 3fku s VAL 238 Ca -0.01 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.38 3fku s VAL 238 Cb 0.01 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3fku s VAL 238 CO -0.08 0.41 -0.19 0.68 0.00 0.00 0.00 175.10 175.92 3fku s VAL 239 N -0.16 1.72 0.13 2.92 -7.23 -0.56 -4.53 120.40 112.69 3fku s VAL 239 Ca 0.32 -1.71 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 3fku s VAL 239 Cb -0.19 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 3fku s VAL 239 CO 0.18 -0.20 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.29 3fku s PHE 240 N -1.61 1.32 0.84 2.82 0.40 -1.26 -2.56 117.98 117.92 3fku s PHE 240 Ca 0.10 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.68 3fku s PHE 240 Cb -0.08 -0.68 0.09 0.00 0.51 0.00 0.00 43.02 42.86 3fku s PHE 240 CO 0.05 0.12 1.12 0.20 0.70 0.00 0.00 175.22 177.41 3fku s GLY 241 N -2.72 1.60 0.53 4.36 0.00 -1.04 -2.32 107.32 107.73 3fku s GLY 241 Ca 0.12 -0.38 0.25 0.00 0.00 0.00 0.00 44.72 44.70 3fku s GLY 241 CO 0.02 0.10 2.11 -1.33 0.00 0.00 0.00 173.10 174.00 3fku h GLY 242 N -1.22 0.00 0.00 0.20 0.00 -1.82 -3.43 103.07 96.80 3fku h GLY 242 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3fku h GLY 242 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 3fku n GLY 243 N -0.94 2.53 3.23 4.60 0.00 -1.26 -4.28 105.19 109.06 3fku n GLY 243 Ca -0.02 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.01 3fku n GLY 243 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fku s THR 244 N -2.50 -0.79 -0.30 2.61 -1.32 -1.19 -4.22 115.64 107.93 3fku s THR 244 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 3fku s THR 244 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3fku s THR 244 CO 0.00 0.00 0.89 -0.54 -2.21 0.00 0.00 174.62 172.76 3fku s LYS 245 N 2.85 4.02 0.09 7.08 1.02 -0.73 -2.83 119.74 131.25 3fku s LYS 245 Ca 0.10 0.80 -0.28 0.00 0.02 0.00 0.00 55.97 56.61 3fku s LYS 245 Cb -0.13 -3.72 -0.06 0.00 -0.52 0.00 0.00 37.83 33.40 3fku s LYS 245 CO -0.18 -0.73 0.89 -1.17 -0.92 0.00 0.00 175.35 173.23 3fku s LEU 246 N 3.17 4.49 -0.17 3.17 2.96 -0.82 -1.34 118.68 130.15 3fku s LEU 246 Ca 0.37 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 3fku s LEU 246 Cb -0.14 -3.46 0.04 0.00 0.50 0.00 0.00 46.19 43.13 3fku s LEU 246 CO 0.13 -0.02 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.16 3fku s THR 247 N -0.10 1.33 0.27 3.68 2.01 0.21 -3.78 115.64 119.25 3fku s THR 247 Ca 0.43 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 3fku s THR 247 Cb -0.22 -1.41 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 3fku s THR 247 CO 0.27 0.22 0.98 -0.69 -0.69 0.00 0.00 174.62 174.72 3fku s VAL 248 N 1.55 3.92 0.00 3.82 1.01 -1.26 -2.01 120.40 127.44 3fku s VAL 248 Ca 0.01 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3fku s VAL 248 Cb -0.15 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3fku s VAL 248 CO -0.08 0.40 0.00 -0.11 0.00 0.00 0.00 175.10 175.31