#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kew s THR 2 N 0.00 4.95 -0.56 -5.08 -1.32 -0.81 -5.03 115.64 107.80 3kew s THR 2 Ca 0.00 0.81 -0.02 0.00 -1.21 0.00 0.00 61.69 61.27 3kew s THR 2 Cb 0.00 -3.73 0.15 0.00 -1.51 0.00 0.00 72.50 67.40 3kew s THR 2 CO 0.00 0.41 0.36 -0.54 -2.21 0.00 0.00 174.62 172.64 3kew s LYS 3 N -1.54 2.36 0.59 7.08 1.02 -1.26 -2.39 119.74 125.60 3kew s LYS 3 Ca 0.31 -2.36 0.34 0.00 0.02 0.00 0.00 55.97 54.28 3kew s LYS 3 Cb -0.16 -3.65 1.87 0.00 -0.52 0.00 0.00 37.83 35.37 3kew s LYS 3 CO 0.17 -1.14 2.21 -0.07 -0.92 0.00 0.00 175.35 175.60 3kew h LEU 4 N 7.23 0.00 -0.78 3.17 3.38 -1.06 -2.34 115.31 124.91 3kew h LEU 4 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kew h LEU 4 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kew h LEU 4 CO 0.70 0.04 -0.20 0.10 0.09 0.00 0.00 178.44 179.17 3kew h TYR 5 N 0.00 0.00 0.00 1.13 -0.00 -1.79 -0.44 116.97 115.87 3kew h TYR 5 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3kew h TYR 5 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.89 3kew h TYR 5 CO 0.00 0.20 -0.65 0.66 -0.00 0.00 0.00 178.16 178.37 3kew n TYR 6 N -3.26 0.53 -0.09 0.10 0.53 -0.89 -3.96 117.16 110.13 3kew n TYR 6 Ca 0.01 0.15 -0.23 0.00 -1.02 0.00 0.00 57.90 56.81 3kew n TYR 6 Cb 0.48 -0.64 -0.12 0.00 -1.03 0.00 0.00 39.34 38.03 3kew n TYR 6 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3kew n GLU 7 N -2.09 0.63 -3.40 -0.72 -0.58 -0.96 -4.87 120.64 108.64 3kew n GLU 7 Ca 0.03 0.37 -0.15 0.00 -0.42 0.00 0.00 57.16 57.00 3kew n GLU 7 Cb 0.44 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 3kew n GLU 7 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3kew s ASP 8 N -7.02 1.13 0.00 1.62 3.68 -0.21 -5.03 116.67 110.84 3kew s ASP 8 Ca -0.31 -0.35 0.25 0.00 2.13 0.00 0.00 52.55 54.27 3kew s ASP 8 Cb 0.09 0.68 1.49 0.00 -1.45 0.00 0.00 42.92 43.73 3kew s ASP 8 CO 0.61 -0.35 1.87 0.00 0.13 0.00 0.00 175.17 177.43 3kew n GLN 9 N 5.33 0.82 0.00 4.34 0.00 -1.25 -2.56 117.38 124.06 3kew n GLN 9 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.04 3kew n GLN 9 Cb 0.48 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 29.23 3kew n GLN 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3kew n TYR 10 N -0.97 0.00 -1.68 2.61 4.02 -1.26 -4.93 117.16 114.94 3kew n TYR 10 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.66 3kew n TYR 10 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 3kew n TYR 10 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kew s ILE 11 N -1.97 2.92 -0.10 -0.72 1.01 -1.06 -4.85 121.20 116.43 3kew s ILE 11 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.84 3kew s ILE 11 Cb 0.12 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.48 3kew s ILE 11 CO 0.44 -0.00 -0.03 1.17 0.00 0.00 0.00 174.94 176.52 3kew n LYS 12 N 7.15 1.46 -4.57 2.79 4.81 -1.26 -4.94 118.16 123.60 3kew n LYS 12 Ca 0.19 0.03 -0.23 0.00 -0.87 0.00 0.00 58.31 57.44 3kew n LYS 12 Cb 0.40 -1.23 -0.14 0.00 0.02 0.00 0.00 35.03 34.09 3kew n LYS 12 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3kew s GLU 13 N -2.22 1.17 0.20 1.64 2.02 -1.26 -1.59 118.70 118.65 3kew s GLU 13 Ca -0.10 -0.72 -0.19 0.00 0.02 0.00 0.00 54.97 53.98 3kew s GLU 13 Cb 0.03 -1.18 0.03 0.00 0.10 0.00 0.00 34.13 33.11 3kew s GLU 13 CO 0.31 0.31 0.56 -0.59 0.02 0.00 0.00 175.26 175.87 3kew s PHE 14 N -0.65 -0.19 -0.13 1.61 -0.12 -0.59 -5.02 117.98 112.90 3kew s PHE 14 Ca 0.05 -0.15 -0.06 0.00 -0.05 0.00 0.00 56.93 56.72 3kew s PHE 14 Cb -0.07 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3kew s PHE 14 CO 0.01 -0.95 0.07 0.15 -0.05 0.00 0.00 175.22 174.44 3kew s LYS 15 N -3.86 3.50 0.12 1.99 1.02 -1.26 -0.80 119.74 120.45 3kew s LYS 15 Ca 0.08 -0.30 -0.00 0.00 0.02 0.00 0.00 55.97 55.77 3kew s LYS 15 Cb -0.02 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 3kew s LYS 15 CO -0.03 0.57 0.03 0.20 -0.92 0.00 0.00 175.35 175.19 3kew s GLY 16 N -0.46 0.93 -0.09 -3.33 0.00 -0.06 -4.87 107.32 99.43 3kew s GLY 16 Ca 0.10 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.39 3kew s GLY 16 CO 0.02 -1.39 -0.11 1.85 0.00 0.00 0.00 173.10 173.47 3kew s GLU 17 N -4.00 1.71 -0.10 2.90 2.12 -1.26 -0.50 118.70 119.58 3kew s GLU 17 Ca 0.21 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 3kew s GLU 17 Cb 0.07 -1.55 -0.06 0.00 0.26 0.00 0.00 34.13 32.85 3kew s GLU 17 CO -0.00 -0.10 1.81 0.42 -0.54 0.00 0.00 175.26 176.84 3kew s ILE 18 N 1.12 3.38 -0.07 -3.70 1.01 -0.14 -1.83 121.20 120.97 3kew s ILE 18 Ca -0.06 0.44 0.14 0.00 0.00 0.00 0.00 60.65 61.17 3kew s ILE 18 Cb -0.14 -3.34 -0.22 0.00 0.01 0.00 0.00 42.46 38.77 3kew s ILE 18 CO -0.02 -0.10 0.62 -0.38 0.00 0.00 0.00 174.94 175.06 3kew n ILE 19 N 6.07 1.51 -3.69 2.92 -0.00 0.12 -4.87 119.36 121.42 3kew n ILE 19 Ca 0.20 -0.78 -0.14 0.00 -0.00 0.00 0.00 62.75 62.03 3kew n ILE 19 Cb 0.43 -0.92 -0.09 0.00 -0.00 0.00 0.00 39.64 39.07 3kew n ILE 19 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3kew s GLU 20 N -2.64 0.63 -0.10 0.38 2.12 -1.22 -4.99 118.70 112.88 3kew s GLU 20 Ca -0.05 0.60 0.04 0.00 0.36 0.00 0.00 54.97 55.93 3kew s GLU 20 Cb 0.08 0.30 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 3kew s GLU 20 CO 0.82 -0.10 -0.24 0.08 -0.54 0.00 0.00 175.26 175.29 3kew s VAL 21 N 0.04 2.06 -0.16 3.70 1.01 -1.26 -1.50 120.40 124.29 3kew s VAL 21 Ca -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3kew s VAL 21 Cb -0.03 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3kew s VAL 21 CO 0.02 0.56 -0.07 -0.54 0.00 0.00 0.00 175.10 175.06 3kew s LYS 22 N 0.31 3.51 -0.37 2.72 1.02 0.09 -4.95 119.74 122.07 3kew s LYS 22 Ca -0.18 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3kew s LYS 22 Cb -0.18 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 3kew s LYS 22 CO 0.09 0.14 0.55 -2.00 -0.92 0.00 0.00 175.35 173.21 3kew s GLU 23 N 0.58 3.53 -0.21 1.68 2.12 -1.26 -0.30 118.70 124.85 3kew s GLU 23 Ca -0.05 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.08 3kew s GLU 23 Cb -0.15 -3.85 0.05 0.00 0.26 0.00 0.00 34.13 30.44 3kew s GLU 23 CO 0.03 -0.74 -0.09 0.42 -0.54 0.00 0.00 175.26 174.34 3kew s ILE 24 N 2.50 1.60 -1.44 -3.70 -1.09 -0.08 -4.83 121.20 114.15 3kew s ILE 24 Ca 0.20 -1.04 -0.05 0.00 -2.23 0.00 0.00 60.65 57.53 3kew s ILE 24 Cb -0.15 -1.72 0.03 0.00 -1.58 0.00 0.00 42.46 39.04 3kew s ILE 24 CO 0.15 0.11 0.61 -0.67 -1.23 0.00 0.00 174.94 173.90 3kew n ASP 25 N 4.69 -1.52 0.00 3.58 2.03 -1.26 -1.34 116.55 122.73 3kew n ASP 25 Ca -0.14 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.24 3kew n ASP 25 Cb 0.46 -3.35 0.00 0.00 -0.72 0.00 0.00 41.12 37.51 3kew n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kew n GLY 26 N -1.77 3.16 3.95 0.27 0.00 -1.26 -5.03 105.19 104.50 3kew n GLY 26 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3kew n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kew s LYS 27 N -0.34 3.47 -0.29 1.61 3.01 -0.45 -5.00 119.74 121.75 3kew s LYS 27 Ca 0.00 -0.54 -0.04 0.00 -1.01 0.00 0.00 55.97 54.39 3kew s LYS 27 Cb 0.00 -2.78 0.03 0.00 -1.01 0.00 0.00 37.83 34.07 3kew s LYS 27 CO 0.00 0.30 0.02 -0.06 0.51 0.00 0.00 175.35 176.12 3kew s PHE 28 N -2.12 3.18 -0.37 3.18 0.40 -1.25 -0.90 117.98 120.10 3kew s PHE 28 Ca 0.37 -1.51 -0.13 0.00 -0.60 0.00 0.00 56.93 55.06 3kew s PHE 28 Cb -0.09 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.28 3kew s PHE 28 CO 0.32 -0.72 0.26 -1.01 0.70 0.00 0.00 175.22 174.77 3kew s HIS 29 N 1.35 3.23 -0.04 0.36 3.76 0.59 -1.00 115.29 123.54 3kew s HIS 29 Ca -0.01 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 3kew s HIS 29 Cb -0.18 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 3kew s HIS 29 CO -0.01 -0.49 0.02 0.14 -0.85 0.00 0.00 174.74 173.55 3kew s VAL 30 N 1.68 4.34 -0.10 -0.90 -7.23 0.17 -0.73 120.40 117.62 3kew s VAL 30 Ca 0.05 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 3kew s VAL 30 Cb -0.18 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 3kew s VAL 30 CO 0.10 0.48 -0.06 -0.22 -0.31 0.00 0.00 175.10 175.09 3kew s LEU 31 N -1.26 3.20 0.19 1.32 2.96 -0.56 -0.77 118.68 123.76 3kew s LEU 31 Ca 0.17 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3kew s LEU 31 Cb -0.11 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3kew s LEU 31 CO 0.07 0.28 0.06 -0.76 -1.32 0.00 0.00 176.35 174.69 3kew s LEU 32 N -0.33 3.50 0.19 -0.68 1.43 -1.26 0.16 118.68 121.69 3kew s LEU 32 Ca 0.05 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3kew s LEU 32 Cb -0.12 -2.11 0.13 0.00 0.03 0.00 0.00 46.19 44.11 3kew s LEU 32 CO 0.02 0.06 1.85 -2.24 0.23 0.00 0.00 176.35 176.27 3kew h ASP 33 N 2.37 0.67 -4.24 2.29 -0.00 -1.73 -3.44 116.42 112.34 3kew h ASP 33 Ca -0.47 -0.01 -0.24 0.00 -0.00 0.00 0.00 57.03 56.31 3kew h ASP 33 Cb 1.21 -0.16 -0.25 0.00 -0.00 0.00 0.00 39.33 40.13 3kew h ASP 33 CO 0.60 0.48 -0.72 0.00 -0.00 0.00 0.00 179.24 179.59 3kew s GLN 34 N -6.14 0.25 -0.04 4.15 -2.07 -1.26 -1.92 119.66 112.64 3kew s GLN 34 Ca -0.13 -0.31 -0.03 0.00 -1.82 0.00 0.00 55.36 53.07 3kew s GLN 34 Cb 0.14 -0.11 0.01 0.00 -1.09 0.00 0.00 33.01 31.96 3kew s GLN 34 CO 0.76 0.02 0.09 -0.08 -1.32 0.00 0.00 175.29 174.76 3kew s THR 35 N -0.60 -0.00 -2.52 3.63 -1.32 -1.00 -4.76 115.64 109.06 3kew s THR 35 Ca -0.05 0.01 0.23 0.00 -1.21 0.00 0.00 61.69 60.67 3kew s THR 35 Cb -0.04 -0.14 0.40 0.00 -1.51 0.00 0.00 72.50 71.21 3kew s THR 35 CO -0.00 0.00 1.46 0.00 -2.21 0.00 0.00 174.62 173.87 3kew n ALA 36 N 3.07 2.48 -2.60 11.08 0.00 -1.26 -0.36 120.51 132.93 3kew n ALA 36 Ca -0.13 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 3kew n ALA 36 Cb 0.59 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 3kew n ALA 36 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kew s PHE 37 N -1.74 3.03 -0.05 0.00 0.08 -1.26 -4.51 117.98 113.53 3kew s PHE 37 Ca 0.35 0.71 -0.30 0.00 0.12 0.00 0.00 56.93 57.81 3kew s PHE 37 Cb 0.20 -3.78 -0.03 0.00 -0.57 0.00 0.00 43.02 38.85 3kew s PHE 37 CO 0.30 -0.91 1.08 0.12 -0.10 0.00 0.00 175.22 175.71 3kew s PHE 38 N 3.62 3.43 -1.84 0.36 5.99 -1.26 -4.90 117.98 123.37 3kew s PHE 38 Ca 0.39 1.47 0.25 0.00 0.00 0.00 0.00 56.93 59.03 3kew s PHE 38 Cb -0.11 -3.27 1.42 0.00 0.00 0.00 0.00 43.02 41.06 3kew s PHE 38 CO 0.21 -0.63 1.84 -0.35 -0.00 0.00 0.00 175.22 176.29 3kew n PRO 39 N 4.73 0.67 0.00 10.12 -0.04 -1.26 -0.62 135.00 148.60 3kew n PRO 39 Ca 0.09 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3kew n PRO 39 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3kew n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kew n GLY 40 N 0.62 1.47 0.00 0.55 0.00 -1.26 -4.31 105.19 102.27 3kew n GLY 40 Ca 0.17 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3kew n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kew n GLY 41 N 1.37 3.91 2.63 -0.02 0.00 -0.49 -4.90 105.19 107.69 3kew n GLY 41 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 3kew n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kew n GLY 42 N -1.46 0.86 1.25 -0.02 0.00 -1.26 -1.70 105.19 102.86 3kew n GLY 42 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3kew n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kew n GLY 43 N -0.43 0.72 3.83 -0.02 0.00 -1.26 -4.89 105.19 103.13 3kew n GLY 43 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3kew n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kew s GLN 44 N -0.58 3.76 0.58 1.61 0.74 -0.69 -4.40 119.66 120.68 3kew s GLN 44 Ca 0.00 -0.03 -0.17 0.00 0.05 0.00 0.00 55.36 55.21 3kew s GLN 44 Cb 0.00 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 3kew s GLN 44 CO 0.00 0.61 1.08 -1.64 -0.55 0.00 0.00 175.29 174.79 3kew s MET 45 N -0.59 3.29 0.94 1.67 -1.94 -1.26 -1.39 119.30 120.01 3kew s MET 45 Ca 0.15 1.37 -0.12 0.00 -1.71 0.00 0.00 55.69 55.38 3kew s MET 45 Cb -0.13 -2.02 0.15 0.00 2.01 0.00 0.00 34.83 34.85 3kew s MET 45 CO 0.04 -0.86 1.11 0.20 -0.01 0.00 0.00 175.02 175.51 3kew s GLY 46 N -2.36 1.58 0.51 -0.03 0.00 -1.26 -4.44 107.32 101.32 3kew s GLY 46 Ca 0.67 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.93 3kew s GLY 46 CO 0.33 0.16 0.82 0.99 0.00 0.00 0.00 173.10 175.40 3kew s ASP 47 N -3.75 6.15 0.33 1.64 1.01 0.21 -4.88 116.67 117.39 3kew s ASP 47 Ca 0.64 0.92 0.03 0.00 0.71 0.00 0.00 52.55 54.86 3kew s ASP 47 Cb -0.16 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 3kew s ASP 47 CO 0.55 -0.67 0.07 -0.76 0.21 0.00 0.00 175.17 174.57 3kew s LEU 48 N -4.81 2.08 0.00 1.23 1.43 -1.26 -4.33 118.68 113.02 3kew s LEU 48 Ca 0.49 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 3kew s LEU 48 Cb -0.10 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.82 3kew s LEU 48 CO 0.46 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3kew n GLY 49 N -0.69 -0.21 3.20 -3.19 0.00 -1.25 -0.43 105.19 102.62 3kew n GLY 49 Ca -0.03 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3kew n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kew s LEU 50 N 0.00 2.07 -0.21 0.99 1.43 0.38 -0.11 118.68 123.23 3kew s LEU 50 Ca 0.00 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3kew s LEU 50 Cb 0.00 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.30 3kew s LEU 50 CO 0.00 0.21 -0.07 -0.63 0.23 0.00 0.00 176.35 176.09 3kew s ILE 51 N -0.53 1.50 -1.42 -0.59 1.01 -0.33 -0.87 121.20 119.96 3kew s ILE 51 Ca 0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3kew s ILE 51 Cb -0.08 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.74 3kew s ILE 51 CO -0.00 0.04 0.59 -0.67 0.00 0.00 0.00 174.94 174.90 3kew n ASP 52 N 4.71 -1.29 -0.35 3.58 2.03 0.25 -1.87 116.55 123.61 3kew n ASP 52 Ca -0.13 -0.93 -0.05 0.00 0.52 0.00 0.00 54.79 54.20 3kew n ASP 52 Cb 0.46 -3.39 -0.02 0.00 -0.72 0.00 0.00 41.12 37.45 3kew n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kew n GLY 53 N -1.79 0.54 3.58 0.27 0.00 -1.26 -4.98 105.19 101.55 3kew n GLY 53 Ca -0.24 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3kew n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kew s ILE 54 N -1.62 4.33 0.30 -0.61 1.01 -0.78 -5.06 121.20 118.76 3kew s ILE 54 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 3kew s ILE 54 Cb 0.00 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.46 3kew s ILE 54 CO 0.00 0.49 1.09 -1.59 0.00 0.00 0.00 174.94 174.93 3kew s LYS 55 N 0.21 4.54 -0.26 2.79 -2.85 -1.26 -1.19 119.74 121.73 3kew s LYS 55 Ca 0.01 1.74 -0.17 0.00 -1.00 0.00 0.00 55.97 56.54 3kew s LYS 55 Cb -0.13 -3.06 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 3kew s LYS 55 CO 0.02 0.14 0.49 0.08 0.10 0.00 0.00 175.35 176.18 3kew s VAL 56 N -1.26 5.09 -0.12 1.79 1.01 0.84 -2.23 120.40 125.52 3kew s VAL 56 Ca 0.47 0.84 0.17 0.00 0.00 0.00 0.00 61.98 63.46 3kew s VAL 56 Cb -0.30 -3.81 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 3kew s VAL 56 CO 0.38 0.11 0.77 0.18 0.00 0.00 0.00 175.10 176.53 3kew n LEU 57 N 5.42 0.80 -3.59 3.92 4.77 0.92 -3.97 117.00 125.27 3kew n LEU 57 Ca -0.05 0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 56.14 3kew n LEU 57 Cb 0.50 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 3kew n LEU 57 CO 0.40 0.17 0.47 -0.62 -1.33 0.00 0.00 177.39 176.49 3kew s ASP 58 N -5.75 -0.67 -0.05 -1.43 2.15 -1.23 -5.00 116.67 104.68 3kew s ASP 58 Ca -0.04 1.10 0.03 0.00 0.43 0.00 0.00 52.55 54.07 3kew s ASP 58 Cb 0.09 1.04 0.00 0.00 -0.30 0.00 0.00 42.92 43.75 3kew s ASP 58 CO 0.82 -0.37 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.61 3kew s VAL 59 N -0.25 1.25 0.09 1.11 1.01 -1.26 -0.46 120.40 121.89 3kew s VAL 59 Ca -0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3kew s VAL 59 Cb -0.03 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 3kew s VAL 59 CO 0.04 0.37 0.20 -0.72 0.00 0.00 0.00 175.10 174.98 3kew s TYR 60 N 0.34 0.14 -0.11 5.22 1.13 -0.66 -4.67 117.35 118.74 3kew s TYR 60 Ca -0.09 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.02 3kew s TYR 60 Cb -0.13 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.66 3kew s TYR 60 CO 0.03 -0.55 -0.14 -2.00 -2.51 0.00 0.00 175.55 170.38 3kew s GLU 61 N -3.84 3.17 -0.05 -3.49 2.12 -1.26 -0.22 118.70 115.14 3kew s GLU 61 Ca 0.05 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 3kew s GLU 61 Cb 0.05 -2.56 0.03 0.00 0.26 0.00 0.00 34.13 31.91 3kew s GLU 61 CO -0.11 0.30 0.04 -2.00 -0.54 0.00 0.00 175.26 172.95 3kew s GLU 62 N 0.11 0.17 -1.42 4.30 2.12 0.03 -4.85 118.70 119.16 3kew s GLU 62 Ca -0.06 0.28 -0.11 0.00 0.36 0.00 0.00 54.97 55.44 3kew s GLU 62 Cb -0.15 -0.67 0.04 0.00 0.26 0.00 0.00 34.13 33.61 3kew s GLU 62 CO 0.05 -0.32 1.12 0.39 -0.54 0.00 0.00 175.26 175.96 3kew n GLU 63 N 5.22 -7.18 -0.97 4.30 -0.58 -1.26 -1.72 120.64 118.45 3kew n GLU 63 Ca -0.05 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3kew n GLU 63 Cb 0.50 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.61 3kew n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kew n GLY 64 N -1.91 0.41 3.45 0.62 0.00 -1.26 -5.01 105.19 101.49 3kew n GLY 64 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3kew n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kew s LYS 65 N -0.56 2.93 -0.36 1.61 1.02 -0.70 -5.03 119.74 118.66 3kew s LYS 65 Ca 0.00 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 3kew s LYS 65 Cb 0.00 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3kew s LYS 65 CO 0.00 0.45 0.34 0.08 -0.92 0.00 0.00 175.35 175.30 3kew s VAL 66 N -0.27 5.19 -0.07 3.17 1.01 -1.26 -0.79 120.40 127.38 3kew s VAL 66 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3kew s VAL 66 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3kew s VAL 66 CO 0.03 -0.13 0.10 -0.31 0.00 0.00 0.00 175.10 174.78 3kew s TYR 67 N 1.94 3.42 -0.19 5.22 1.51 0.70 -4.37 117.35 125.58 3kew s TYR 67 Ca 0.10 0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 56.51 3kew s TYR 67 Cb -0.17 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3kew s TYR 67 CO 0.11 0.62 -0.16 -1.01 -1.11 0.00 0.00 175.55 174.01 3kew s HIS 68 N -1.07 2.82 -0.50 2.71 3.76 0.05 -1.65 115.29 121.41 3kew s HIS 68 Ca 0.18 -1.42 -0.25 0.00 -0.15 0.00 0.00 55.06 53.43 3kew s HIS 68 Cb -0.12 -1.96 0.03 0.00 1.11 0.00 0.00 32.58 31.65 3kew s HIS 68 CO 0.08 -0.71 0.93 0.08 -0.85 0.00 0.00 174.74 174.26 3kew s VAL 69 N 1.27 4.44 0.19 -0.90 1.01 0.39 -0.66 120.40 126.15 3kew s VAL 69 Ca 0.04 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 3kew s VAL 69 Cb -0.14 -4.48 -0.07 0.00 0.00 0.00 0.00 36.38 31.70 3kew s VAL 69 CO -0.09 -0.96 0.54 -0.76 0.00 0.00 0.00 175.10 173.82 3kew s LEU 70 N 3.83 4.23 0.40 3.92 1.43 -0.17 -0.05 118.68 132.26 3kew s LEU 70 Ca 0.33 0.96 0.22 0.00 -1.03 0.00 0.00 54.13 54.61 3kew s LEU 70 Cb -0.11 -3.50 0.52 0.00 0.03 0.00 0.00 46.19 43.13 3kew s LEU 70 CO 0.23 0.00 1.66 1.05 0.23 0.00 0.00 176.35 179.51 3kew h GLU 71 N 2.95 0.00 -5.34 1.70 4.11 -1.76 -3.31 114.58 112.93 3kew h GLU 71 Ca -0.48 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.48 3kew h GLU 71 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 3kew h GLU 71 CO 0.68 0.22 -0.64 0.15 0.07 0.00 0.00 179.01 179.49 3kew s LYS 72 N -3.30 1.59 0.10 1.06 1.02 -1.26 -4.94 119.74 114.00 3kew s LYS 72 Ca 0.04 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 53.88 3kew s LYS 72 Cb 0.08 -0.99 -0.06 0.00 -0.52 0.00 0.00 37.83 36.34 3kew s LYS 72 CO 0.67 -0.08 1.19 -2.00 -0.92 0.00 0.00 175.35 174.21 3kew s GLU 73 N -3.81 4.46 0.22 1.68 2.12 -1.26 -4.68 118.70 117.43 3kew s GLU 73 Ca 0.33 1.78 -0.29 0.00 0.36 0.00 0.00 54.97 57.15 3kew s GLU 73 Cb 0.07 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 3kew s GLU 73 CO 0.13 -0.18 0.90 -1.25 -0.54 0.00 0.00 175.26 174.32 3kew s PRO 74 N 0.65 4.78 -0.14 4.30 0.04 -1.26 -5.00 135.00 138.37 3kew s PRO 74 Ca 0.56 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 3kew s PRO 74 Cb -0.30 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 3kew s PRO 74 CO 0.31 0.53 -0.29 1.63 0.04 0.00 0.00 177.00 179.22 3kew n LYS 75 N 1.48 0.44 -2.27 4.56 4.01 -1.26 -4.95 118.16 120.17 3kew n LYS 75 Ca -0.03 0.17 -0.40 0.00 -0.51 0.00 0.00 58.31 57.54 3kew n LYS 75 Cb 0.47 -1.27 -0.03 0.00 -0.51 0.00 0.00 35.03 33.70 3kew n LYS 75 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3kew s LYS 76 N -2.68 4.46 -0.01 1.97 2.20 -1.26 -4.97 119.74 119.45 3kew s LYS 76 Ca -0.24 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 3kew s LYS 76 Cb 0.03 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 3kew s LYS 76 CO 0.36 -0.03 -0.00 1.28 -0.36 0.00 0.00 175.35 176.59 3kew n LEU 77 N 0.92 1.17 -4.84 5.43 4.77 -1.26 -4.96 117.00 118.22 3kew n LEU 77 Ca -0.00 -0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3kew n LEU 77 Cb 0.43 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3kew n LEU 77 CO 0.57 0.21 -0.18 -0.54 -1.33 0.00 0.00 177.39 176.11 3kew s LYS 78 N -2.02 3.06 -1.31 3.23 1.02 -1.26 -0.96 119.74 121.50 3kew s LYS 78 Ca -0.01 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 3kew s LYS 78 Cb 0.00 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3kew s LYS 78 CO 0.03 0.50 0.60 -1.71 -0.92 0.00 0.00 175.35 173.85 3kew n ASN 79 N -0.35 -1.69 -4.71 2.83 5.15 -1.22 -4.95 115.26 110.33 3kew n ASN 79 Ca -0.08 -0.94 -0.38 0.00 -0.60 0.00 0.00 54.58 52.58 3kew n ASN 79 Cb 0.54 -3.51 -0.06 0.00 -0.53 0.00 0.00 39.78 36.22 3kew n ASN 79 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kew s LEU 80 N -6.74 4.25 -0.10 1.20 1.43 0.35 -4.87 118.68 114.21 3kew s LEU 80 Ca 0.10 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 3kew s LEU 80 Cb -0.03 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 3kew s LEU 80 CO 0.85 -0.04 1.19 -1.58 0.23 0.00 0.00 176.35 177.00 3kew s GLN 81 N 0.83 4.33 0.06 1.70 2.00 -1.26 -0.89 119.66 126.42 3kew s GLN 81 Ca 0.26 1.63 0.06 0.00 -2.00 0.00 0.00 55.36 55.32 3kew s GLN 81 Cb -0.15 -3.61 -0.03 0.00 0.80 0.00 0.00 33.01 30.02 3kew s GLN 81 CO 0.11 -0.51 -0.18 0.00 -0.50 0.00 0.00 175.29 174.21 3kew s GLU 83 N -1.35 0.30 0.56 0.00 -1.05 -0.05 -1.53 118.70 115.58 3kew s GLU 83 Ca 0.04 0.49 -0.18 0.00 -0.15 0.00 0.00 54.97 55.18 3kew s GLU 83 Cb -0.09 0.05 -0.05 0.00 -0.44 0.00 0.00 34.13 33.60 3kew s GLU 83 CO 0.02 -0.09 1.06 -0.51 0.95 0.00 0.00 175.26 176.69 3kew s LEU 84 N 0.67 3.64 -0.81 1.83 1.43 -0.62 -0.47 118.68 124.34 3kew s LEU 84 Ca -0.04 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 54.71 3kew s LEU 84 Cb -0.05 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.63 3kew s LEU 84 CO -0.04 -1.07 1.53 -0.62 0.23 0.00 0.00 176.35 176.38 3kew s ASP 85 N -2.38 5.93 0.22 2.29 -1.08 0.43 -4.84 116.67 117.23 3kew s ASP 85 Ca 0.66 -0.58 -0.01 0.00 -0.52 0.00 0.00 52.55 52.10 3kew s ASP 85 Cb -0.17 -2.56 0.20 0.00 -1.46 0.00 0.00 42.92 38.93 3kew s ASP 85 CO 0.30 -1.99 1.56 -0.25 0.52 0.00 0.00 175.17 175.32 3kew h TRP 86 N 11.16 0.61 -0.40 -5.34 2.91 -1.93 -2.34 115.95 120.62 3kew h TRP 86 Ca -0.10 -0.20 0.05 0.00 1.13 0.00 0.00 58.89 59.77 3kew h TRP 86 Cb 1.06 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.54 3kew h TRP 86 CO 1.16 0.89 0.13 1.49 -1.03 0.00 0.00 178.44 181.08 3kew h GLU 87 N 0.40 0.27 -0.18 2.65 4.81 -1.99 0.14 114.58 120.68 3kew h GLU 87 Ca 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kew h GLU 87 Cb 1.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3kew h GLU 87 CO 0.09 0.18 0.11 -0.09 -0.73 0.00 0.00 179.01 178.57 3kew h ARG 88 N 0.28 0.25 0.44 1.92 2.43 -1.96 -2.22 114.38 115.52 3kew h ARG 88 Ca 0.19 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3kew h ARG 88 Cb 0.18 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3kew h ARG 88 CO -0.20 0.22 -0.44 -0.09 -1.51 0.00 0.00 179.97 177.95 3kew h ARG 89 N 0.21 -0.86 -0.14 0.20 1.12 -0.98 -2.70 114.38 111.23 3kew h ARG 89 Ca 0.07 0.06 -0.07 0.00 -1.11 0.00 0.00 59.98 58.92 3kew h ARG 89 Cb 0.04 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.18 3kew h ARG 89 CO -0.01 -0.57 -0.24 0.35 -3.11 0.00 0.00 179.97 176.39 3kew h PHE 90 N -0.89 0.28 -0.25 2.20 3.57 -0.78 -1.49 116.94 119.57 3kew h PHE 90 Ca -0.04 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 3kew h PHE 90 Cb 0.79 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3kew h PHE 90 CO -0.23 0.48 0.15 0.22 -2.23 0.00 0.00 178.31 176.69 3kew h ASP 91 N 0.23 0.31 -0.70 0.41 3.58 -1.34 -1.29 116.42 117.62 3kew h ASP 91 Ca 0.04 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 3kew h ASP 91 Cb 0.55 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 3kew h ASP 91 CO 0.04 0.29 0.25 1.23 -2.88 0.00 0.00 179.24 178.17 3kew h GLY 92 N 0.31 1.15 0.74 -0.78 0.00 -1.10 -1.67 103.07 101.71 3kew h GLY 92 Ca 0.09 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.81 3kew h GLY 92 CO -0.02 0.61 0.26 -0.33 0.00 0.00 0.00 176.54 177.07 3kew h MET 93 N 1.01 0.50 -0.52 4.80 2.86 -1.15 -1.67 114.93 120.76 3kew h MET 93 Ca 0.23 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 3kew h MET 93 Cb 0.25 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3kew h MET 93 CO -0.01 0.33 0.03 1.96 1.06 0.00 0.00 176.91 180.27 3kew h GLN 94 N 0.51 0.89 -0.58 1.72 4.20 -1.01 -2.10 115.11 118.75 3kew h GLN 94 Ca 0.22 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3kew h GLN 94 Cb 0.12 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3kew h GLN 94 CO -0.15 0.91 0.13 1.96 -0.67 0.00 0.00 178.83 181.00 3kew h GLN 95 N 0.76 0.94 0.37 1.46 1.08 -1.13 -0.51 115.11 118.09 3kew h GLN 95 Ca 0.15 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3kew h GLN 95 Cb 0.49 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3kew h GLN 95 CO 0.02 0.88 -0.18 1.25 -0.95 0.00 0.00 178.83 179.85 3kew h HIS 96 N 0.84 -0.47 -0.44 2.96 2.76 -1.28 -2.58 115.15 116.95 3kew h HIS 96 Ca 0.18 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3kew h HIS 96 Cb 0.37 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 3kew h HIS 96 CO 0.03 -0.17 0.29 1.25 -1.30 0.00 0.00 177.93 178.03 3kew h LEU 97 N -0.74 0.46 -0.60 0.26 5.85 -1.43 -2.37 115.31 116.75 3kew h LEU 97 Ca -0.05 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.75 3kew h LEU 97 Cb 0.51 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3kew h LEU 97 CO 0.08 0.33 0.23 1.23 -0.34 0.00 0.00 178.44 179.98 3kew h GLY 98 N 0.55 0.84 0.88 3.75 0.00 -0.96 0.12 103.07 108.24 3kew h GLY 98 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3kew h GLY 98 CO -0.04 -0.00 0.05 -1.61 0.00 0.00 0.00 176.54 174.94 3kew h GLN 99 N 0.42 0.45 -0.98 4.80 -0.00 -1.03 -1.60 115.11 117.17 3kew h GLN 99 Ca 0.30 -0.12 0.07 0.00 -0.00 0.00 0.00 58.65 58.90 3kew h GLN 99 Cb 0.35 -0.05 -0.07 0.00 0.00 0.00 0.00 27.48 27.71 3kew h GLN 99 CO -0.29 0.56 0.63 0.45 0.00 0.00 0.00 178.83 180.18 3kew h HIS 100 N 0.27 1.15 -0.12 3.99 3.86 -0.93 0.56 115.15 123.93 3kew h HIS 100 Ca 0.08 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 3kew h HIS 100 Cb 0.32 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3kew h HIS 100 CO 0.02 0.58 -0.24 1.25 0.86 0.00 0.00 177.93 180.40 3kew h LEU 101 N 1.12 0.43 -0.35 2.43 5.85 -0.67 -1.13 115.31 122.98 3kew h LEU 101 Ca 0.43 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3kew h LEU 101 Cb 0.22 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3kew h LEU 101 CO -0.18 0.90 0.19 -0.07 -0.34 0.00 0.00 178.44 178.94 3kew h LEU 102 N -0.03 0.45 -0.82 2.25 3.38 -1.06 0.52 115.31 119.99 3kew h LEU 102 Ca 0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kew h LEU 102 Cb 0.83 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3kew h LEU 102 CO 0.05 0.42 0.53 0.28 0.09 0.00 0.00 178.44 179.82 3kew h SER 103 N 0.44 0.90 -0.67 -0.43 0.02 -0.92 -0.74 113.55 112.16 3kew h SER 103 Ca 0.12 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3kew h SER 103 Cb 0.08 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3kew h SER 103 CO -0.02 0.63 0.12 1.23 -1.14 0.00 0.00 176.83 177.65 3kew h GLY 104 N 1.06 1.18 0.74 -3.77 0.00 -0.79 -2.31 103.07 99.17 3kew h GLY 104 Ca 0.32 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3kew h GLY 104 CO -0.10 0.72 -0.08 0.00 0.00 0.00 0.00 176.54 177.09 3kew h PHE 106 N -0.05 0.80 -0.19 0.00 0.04 -1.14 0.38 116.94 116.79 3kew h PHE 106 Ca 0.03 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 3kew h PHE 106 Cb 0.55 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 3kew h PHE 106 CO 0.07 0.30 -0.28 -0.92 -0.60 0.00 0.00 178.31 176.88 3kew h TYR 107 N 0.73 0.65 -0.30 -0.55 3.20 -1.32 -1.56 116.97 117.82 3kew h TYR 107 Ca 0.40 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3kew h TYR 107 Cb 0.41 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3kew h TYR 107 CO -0.07 0.93 0.15 0.22 -1.64 0.00 0.00 178.16 177.74 3kew h ASP 108 N 0.19 0.39 0.61 -2.11 -0.00 -0.81 -0.86 116.42 113.83 3kew h ASP 108 Ca 0.02 -0.12 -0.28 0.00 -0.00 0.00 0.00 57.03 56.65 3kew h ASP 108 Cb 0.86 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 40.08 3kew h ASP 108 CO 0.07 0.40 -1.34 -0.07 -0.00 0.00 0.00 179.24 178.30 3kew h LEU 109 N 0.35 0.33 -0.20 2.28 3.38 -1.04 -3.41 115.31 117.00 3kew h LEU 109 Ca 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3kew h LEU 109 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kew h LEU 109 CO -0.01 1.32 0.00 0.49 0.09 0.00 0.00 178.44 180.33 3kew n PHE 110 N -3.45 0.00 -1.30 1.13 3.72 -0.61 -5.01 117.46 111.95 3kew n PHE 110 Ca -0.11 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.19 3kew n PHE 110 Cb 1.02 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.52 3kew n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kew n GLY 111 N 0.37 1.15 3.71 1.37 0.00 -0.33 -4.97 105.19 106.49 3kew n GLY 111 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3kew n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kew s ALA 112 N -2.30 3.27 0.19 4.61 0.00 -1.09 -4.90 121.76 121.54 3kew s ALA 112 Ca 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 3kew s ALA 112 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 3kew s ALA 112 CO 0.00 -0.16 0.43 -0.80 0.00 0.00 0.00 175.76 175.23 3kew s ASN 113 N 0.88 6.49 -0.16 0.00 0.01 -1.26 -3.02 114.94 117.87 3kew s ASN 113 Ca 0.43 0.62 -0.14 0.00 -0.71 0.00 0.00 52.86 53.06 3kew s ASN 113 Cb -0.19 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 3kew s ASN 113 CO 0.22 -0.02 0.31 -0.89 -1.51 0.00 0.00 177.10 175.21 3kew s THR 114 N -1.78 5.29 -0.78 1.60 2.01 -1.26 -0.37 115.64 120.35 3kew s THR 114 Ca 0.42 0.58 0.06 0.00 0.31 0.00 0.00 61.69 63.06 3kew s THR 114 Cb -0.12 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.80 3kew s THR 114 CO 0.26 0.37 0.74 0.00 -0.69 0.00 0.00 174.62 175.29 3kew s GLY 116 N -0.57 -0.31 0.10 0.00 0.00 -1.21 -4.96 107.32 100.37 3kew s GLY 116 Ca 0.08 1.44 -0.25 0.00 0.00 0.00 0.00 44.72 45.99 3kew s GLY 116 CO 0.08 0.45 0.67 -0.11 0.00 0.00 0.00 173.10 174.19 3kew s PHE 117 N -2.36 -0.52 -0.16 1.90 -0.12 -1.26 0.19 117.98 115.64 3kew s PHE 117 Ca 0.11 0.42 -0.07 0.00 -0.05 0.00 0.00 56.93 57.34 3kew s PHE 117 Cb 0.00 0.54 0.07 0.00 -0.63 0.00 0.00 43.02 43.00 3kew s PHE 117 CO -0.04 -0.76 0.35 -1.58 -0.05 0.00 0.00 175.22 173.14 3kew s HIS 118 N -3.27 -0.57 -0.42 3.49 2.46 -0.70 -4.98 115.29 111.29 3kew s HIS 118 Ca 0.00 1.19 -0.12 0.00 0.47 0.00 0.00 55.06 56.61 3kew s HIS 118 Cb -0.01 0.17 0.06 0.00 -0.13 0.00 0.00 32.58 32.66 3kew s HIS 118 CO -0.09 -0.37 0.28 -0.51 -2.47 0.00 0.00 174.74 171.58 3kew s LEU 119 N 1.97 5.13 0.47 8.88 1.43 -1.26 -0.57 118.68 134.73 3kew s LEU 119 Ca -0.05 -1.26 0.08 0.00 -1.03 0.00 0.00 54.13 51.88 3kew s LEU 119 Cb -0.11 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.08 3kew s LEU 119 CO -0.11 -0.51 0.56 -0.83 0.23 0.00 0.00 176.35 175.69 3kew s GLY 120 N 2.03 1.98 0.30 -3.19 0.00 -0.86 -4.91 107.32 102.68 3kew s GLY 120 Ca 0.03 -1.80 0.16 0.00 0.00 0.00 0.00 44.72 43.10 3kew s GLY 120 CO 0.05 -1.63 1.57 0.07 0.00 0.00 0.00 173.10 173.16 3kew h LYS 121 N 0.64 0.00 0.00 2.90 2.10 -2.02 -3.38 116.57 116.81 3kew h LYS 121 Ca -0.38 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.02 3kew h LYS 121 Cb 1.28 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.57 3kew h LYS 121 CO 0.48 0.51 -1.88 0.39 -2.00 0.00 0.00 179.45 176.95 3kew n GLU 122 N -3.41 0.35 -4.30 0.07 -0.58 -1.26 -5.05 120.64 106.45 3kew n GLU 122 Ca 0.01 0.13 -0.21 0.00 -0.42 0.00 0.00 57.16 56.66 3kew n GLU 122 Cb 0.65 -1.13 -0.13 0.00 -0.57 0.00 0.00 31.44 30.27 3kew n GLU 122 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3kew s ILE 123 N -2.29 1.39 0.19 -3.67 -1.16 -1.26 -4.98 121.20 109.42 3kew s ILE 123 Ca -0.22 -1.32 0.11 0.00 -0.51 0.00 0.00 60.65 58.72 3kew s ILE 123 Cb 0.08 -1.28 -0.04 0.00 0.61 0.00 0.00 42.46 41.83 3kew s ILE 123 CO 0.30 -0.07 -0.23 -0.44 -2.81 0.00 0.00 174.94 171.69 3kew s SER 124 N -1.61 3.33 0.21 4.50 0.01 -1.12 -2.02 113.70 116.99 3kew s SER 124 Ca 0.03 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 56.52 3kew s SER 124 Cb -0.09 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 3kew s SER 124 CO 0.03 0.10 -0.19 0.42 0.41 0.00 0.00 173.24 174.01 3kew s THR 125 N -1.73 2.07 -0.03 1.44 -4.23 0.26 -1.26 115.64 112.16 3kew s THR 125 Ca 0.20 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 3kew s THR 125 Cb -0.08 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.74 3kew s THR 125 CO 0.09 -0.35 -0.01 0.54 -0.54 0.00 0.00 174.62 174.36 3kew s VAL 126 N -2.26 0.23 -0.27 2.29 0.11 -0.48 -1.73 120.40 118.28 3kew s VAL 126 Ca 0.21 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 59.18 3kew s VAL 126 Cb -0.05 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3kew s VAL 126 CO 0.09 0.15 0.27 -1.81 -3.33 0.00 0.00 175.10 170.47 3kew s ASP 127 N 0.91 6.13 -0.18 3.54 1.01 0.13 -1.17 116.67 127.04 3kew s ASP 127 Ca -0.10 0.13 -0.03 0.00 0.71 0.00 0.00 52.55 53.27 3kew s ASP 127 Cb -0.13 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3kew s ASP 127 CO -0.01 -0.10 -0.05 -0.63 0.21 0.00 0.00 175.17 174.59 3kew s ILE 128 N 1.83 3.58 0.27 0.77 -1.09 -0.49 -0.85 121.20 125.23 3kew s ILE 128 Ca 0.11 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 57.77 3kew s ILE 128 Cb -0.16 -2.59 -0.11 0.00 -1.58 0.00 0.00 42.46 38.02 3kew s ILE 128 CO 0.10 0.46 1.62 -0.69 -1.23 0.00 0.00 174.94 175.20 3kew s VAL 129 N 0.84 2.10 0.00 2.92 1.01 0.50 -0.17 120.40 127.60 3kew s VAL 129 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3kew s VAL 129 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3kew s VAL 129 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3kew n GLY 130 N 2.61 -0.20 3.61 4.51 0.00 0.06 -4.62 105.19 111.16 3kew n GLY 130 Ca 0.10 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 3kew n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kew s PHE 131 N -1.76 3.26 -0.07 1.61 0.08 -1.26 -2.76 117.98 117.08 3kew s PHE 131 Ca 0.00 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.14 3kew s PHE 131 Cb 0.00 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 3kew s PHE 131 CO 0.00 -0.01 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.53 3kew s LEU 132 N 1.08 3.16 0.69 -0.37 1.43 -1.26 -5.07 118.68 118.34 3kew s LEU 132 Ca 0.06 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3kew s LEU 132 Cb -0.14 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.44 3kew s LEU 132 CO 0.04 0.36 1.01 1.51 0.23 0.00 0.00 176.35 179.50 3kew s ASP 133 N -0.82 4.97 0.24 2.29 1.47 -1.26 -4.92 116.67 118.64 3kew s ASP 133 Ca 0.12 0.56 -0.06 0.00 1.18 0.00 0.00 52.55 54.35 3kew s ASP 133 Cb -0.11 -1.27 0.32 0.00 -0.34 0.00 0.00 42.92 41.52 3kew s ASP 133 CO 0.02 -1.50 1.85 -0.08 0.68 0.00 0.00 175.17 176.13 3kew h GLU 134 N -0.55 0.92 -0.70 2.11 4.81 -2.00 -2.23 114.58 116.94 3kew h GLU 134 Ca -0.45 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 3kew h GLU 134 Cb 1.30 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 3kew h GLU 134 CO 0.61 0.61 0.40 -0.22 -0.73 0.00 0.00 179.01 179.68 3kew h LYS 135 N 0.95 0.71 -0.30 1.92 3.64 -1.99 0.16 116.57 121.66 3kew h LYS 135 Ca 0.36 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3kew h LYS 135 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kew h LYS 135 CO -0.17 0.47 0.02 1.15 -2.27 0.00 0.00 179.45 178.65 3kew h THR 136 N 0.73 1.25 -0.53 1.00 2.02 -1.84 -2.51 112.91 113.02 3kew h THR 136 Ca 0.32 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 3kew h THR 136 Cb 0.20 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3kew h THR 136 CO -0.19 0.29 -0.08 0.40 0.37 0.00 0.00 175.52 176.32 3kew h ILE 137 N 0.33 1.27 -0.17 3.11 2.04 -1.01 -2.49 117.51 120.59 3kew h ILE 137 Ca 0.09 -1.21 -0.12 0.00 1.00 0.00 0.00 64.86 64.61 3kew h ILE 137 Cb 0.39 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3kew h ILE 137 CO 0.01 0.43 -0.43 0.03 0.00 0.00 0.00 178.15 178.19 3kew h ARG 138 N 0.85 0.40 -0.71 2.37 2.47 -1.01 -2.18 114.38 116.56 3kew h ARG 138 Ca 0.14 -0.21 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 3kew h ARG 138 Cb 0.63 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.93 3kew h ARG 138 CO 0.04 0.76 0.22 0.93 0.56 0.00 0.00 179.97 182.48 3kew h GLU 139 N 0.33 1.11 -0.45 0.04 5.08 -1.30 -1.12 114.58 118.27 3kew h GLU 139 Ca 0.03 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3kew h GLU 139 Cb 0.89 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3kew h GLU 139 CO 0.07 0.95 -0.16 0.00 -1.00 0.00 0.00 179.01 178.88 3kew h ALA 140 N 1.11 0.62 -0.79 3.43 0.00 -1.32 -1.62 119.26 120.69 3kew h ALA 140 Ca 0.23 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kew h ALA 140 Cb 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3kew h ALA 140 CO -0.01 0.56 0.51 1.49 0.00 0.00 0.00 179.25 181.80 3kew h GLU 141 N 0.73 0.99 -0.37 0.00 4.81 -1.29 -0.46 114.58 119.00 3kew h GLU 141 Ca 0.11 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3kew h GLU 141 Cb 0.72 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3kew h GLU 141 CO 0.05 0.66 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.58 3kew h LYS 142 N 1.02 0.78 -0.67 1.92 3.64 -1.10 -2.41 116.57 119.75 3kew h LYS 142 Ca 0.30 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 3kew h LYS 142 Cb -0.06 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3kew h LYS 142 CO -0.09 0.97 0.15 1.49 -2.27 0.00 0.00 179.45 179.70 3kew h GLU 143 N 0.57 1.07 -0.27 1.90 4.57 -1.12 -1.05 114.58 120.25 3kew h GLU 143 Ca 0.08 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3kew h GLU 143 Cb 0.74 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 3kew h GLU 143 CO 0.06 0.95 0.12 0.00 -1.18 0.00 0.00 179.01 178.96 3kew h ALA 144 N 1.14 0.32 -0.07 2.92 0.00 -1.01 -0.29 119.26 122.27 3kew h ALA 144 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kew h ALA 144 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kew h ALA 144 CO 0.00 -0.27 -0.19 -0.91 0.00 0.00 0.00 179.25 177.88 3kew h ASN 145 N 0.27 0.11 -0.41 0.00 2.35 -1.28 -1.18 115.58 115.43 3kew h ASN 145 Ca 0.11 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 3kew h ASN 145 Cb 0.05 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3kew h ASN 145 CO -0.09 0.31 -0.23 -0.09 -1.65 0.00 0.00 177.43 175.69 3kew h ARG 146 N 0.11 0.92 0.00 0.81 2.43 -0.66 -2.51 114.38 115.47 3kew h ARG 146 Ca 0.02 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3kew h ARG 146 Cb 0.41 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3kew h ARG 146 CO 0.03 1.05 -0.21 -0.07 -1.51 0.00 0.00 179.97 179.25 3kew h LEU 147 N 0.79 0.00 -0.30 3.80 3.38 -0.63 -0.40 115.31 121.95 3kew h LEU 147 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kew h LEU 147 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3kew h LEU 147 CO 0.07 0.21 0.11 0.40 0.09 0.00 0.00 178.44 179.32 3kew h ILE 148 N 0.00 1.19 -0.89 1.22 2.04 -1.14 -3.03 117.51 116.91 3kew h ILE 148 Ca -0.00 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3kew h ILE 148 Cb 0.90 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3kew h ILE 148 CO 0.03 0.20 0.48 0.15 0.00 0.00 0.00 178.15 179.01 3kew h PHE 149 N 0.34 1.22 0.00 1.37 3.57 -1.06 -2.83 116.94 119.55 3kew h PHE 149 Ca 0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3kew h PHE 149 Cb 0.21 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3kew h PHE 149 CO -0.00 0.84 0.00 0.93 -2.23 0.00 0.00 178.31 177.85 3kew h GLU 150 N 1.24 0.00 -5.77 1.11 4.39 -1.06 -3.48 114.58 111.01 3kew h GLU 150 Ca 0.31 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.78 3kew h GLU 150 Cb 0.03 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.75 3kew h GLU 150 CO -0.05 0.00 -0.59 -1.71 -1.16 0.00 0.00 179.01 175.50 3kew n ASN 151 N -2.40 -6.55 -4.75 1.42 2.85 -1.07 -4.97 115.26 99.80 3kew n ASN 151 Ca 0.01 -0.58 -0.40 0.00 -0.11 0.00 0.00 54.58 53.50 3kew n ASN 151 Cb 0.21 -4.37 -0.05 0.00 1.24 0.00 0.00 39.78 36.82 3kew n ASN 151 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3kew s LEU 152 N -5.08 4.57 0.29 1.20 1.43 -1.25 -4.80 118.68 115.04 3kew s LEU 152 Ca 0.24 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 3kew s LEU 152 Cb -0.06 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 3kew s LEU 152 CO 0.79 -0.06 1.45 -0.70 0.23 0.00 0.00 176.35 178.06 3kew s GLU 153 N -1.12 4.23 -0.24 1.70 2.12 -1.26 -1.66 118.70 122.47 3kew s GLU 153 Ca 0.44 2.38 -0.01 0.00 0.36 0.00 0.00 54.97 58.14 3kew s GLU 153 Cb -0.29 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.06 3kew s GLU 153 CO 0.37 -0.43 -0.07 0.08 -0.54 0.00 0.00 175.26 174.67 3kew s VAL 154 N -0.41 2.79 -0.21 3.70 1.01 0.35 -1.04 120.40 126.58 3kew s VAL 154 Ca 0.57 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3kew s VAL 154 Cb -0.43 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3kew s VAL 154 CO 0.49 0.21 0.11 -0.54 0.00 0.00 0.00 175.10 175.37 3kew s LYS 155 N 1.31 4.00 -0.21 2.72 1.02 0.74 -4.42 119.74 124.90 3kew s LYS 155 Ca 0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.65 3kew s LYS 155 Cb -0.17 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3kew s LYS 155 CO -0.05 0.16 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.32 3kew s SER 156 N 0.73 3.93 0.06 2.83 0.01 -1.26 0.16 113.70 120.16 3kew s SER 156 Ca 0.06 -0.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 3kew s SER 156 Cb -0.13 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.48 3kew s SER 156 CO 0.02 -0.02 0.40 -0.72 0.41 0.00 0.00 173.24 173.33 3kew s TYR 157 N 1.42 -0.23 -0.36 2.43 -0.85 -0.47 -5.00 117.35 114.29 3kew s TYR 157 Ca 0.05 0.12 -0.08 0.00 -0.52 0.00 0.00 57.07 56.64 3kew s TYR 157 Cb -0.14 0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.45 3kew s TYR 157 CO -0.06 -0.59 0.15 0.00 -1.52 0.00 0.00 175.55 173.53 3kew s ALA 158 N -2.76 3.15 0.70 9.51 0.00 -1.26 0.26 121.76 131.36 3kew s ALA 158 Ca -0.03 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.00 3kew s ALA 158 Cb -0.00 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.72 3kew s ALA 158 CO -0.04 -1.38 1.23 -2.14 0.00 0.00 0.00 175.76 173.42 3kew s PRO 159 N 1.46 2.27 0.88 0.00 0.02 -1.25 -5.03 135.00 133.35 3kew s PRO 159 Ca -0.00 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 3kew s PRO 159 Cb -0.20 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.60 3kew s PRO 159 CO 0.04 -1.76 1.09 0.45 -0.33 0.00 0.00 177.00 176.50 3kew s SER 160 N -1.86 3.58 0.35 2.53 0.15 -1.26 -4.78 113.70 112.42 3kew s SER 160 Ca 0.76 1.58 0.04 0.00 0.70 0.00 0.00 55.95 59.04 3kew s SER 160 Cb -0.31 -2.26 0.70 0.00 -1.71 0.00 0.00 66.02 62.44 3kew s SER 160 CO 0.43 -2.58 1.97 0.11 1.20 0.00 0.00 173.24 174.37 3kew h LYS 161 N -1.51 0.78 -0.05 5.44 1.57 -1.99 0.14 116.57 120.95 3kew h LYS 161 Ca -0.48 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.19 3kew h LYS 161 Cb 1.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3kew h LYS 161 CO 0.53 0.52 -0.20 0.87 -0.57 0.00 0.00 179.45 180.60 3kew h LYS 162 N 0.81 0.22 -0.51 3.15 1.57 -2.03 -3.28 116.57 116.50 3kew h LYS 162 Ca 0.30 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3kew h LYS 162 Cb 0.16 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3kew h LYS 162 CO -0.09 0.81 0.35 0.93 -0.57 0.00 0.00 179.45 180.88 3kew h GLU 163 N -0.32 0.32 0.00 3.15 5.08 -1.79 -2.83 114.58 118.20 3kew h GLU 163 Ca -0.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3kew h GLU 163 Cb 0.84 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3kew h GLU 163 CO 0.04 0.21 -0.30 1.25 -1.00 0.00 0.00 179.01 179.21 3kew h LEU 164 N 0.33 0.00 -0.86 1.33 6.46 -0.79 -2.73 115.31 119.06 3kew h LEU 164 Ca 0.23 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 3kew h LEU 164 Cb 0.49 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3kew h LEU 164 CO -0.06 0.30 -0.47 0.11 -0.62 0.00 0.00 178.44 177.70 3kew h LYS 165 N 0.00 0.00 -0.00 1.25 1.57 -1.61 -2.89 116.57 114.88 3kew h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kew h LYS 165 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kew h LYS 165 CO 0.04 0.47 -0.16 1.17 -0.57 0.00 0.00 179.45 180.40 3kew n LYS 166 N -3.64 0.48 -2.61 3.15 4.81 -1.03 -4.88 118.16 114.43 3kew n LYS 166 Ca -0.01 -0.17 -0.42 0.00 -0.87 0.00 0.00 58.31 56.83 3kew n LYS 166 Cb 0.55 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.08 3kew n LYS 166 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3kew s VAL 167 N -2.64 4.61 -0.39 3.15 1.01 -1.09 -5.02 120.40 120.03 3kew s VAL 167 Ca 0.24 1.90 -0.14 0.00 0.00 0.00 0.00 61.98 63.97 3kew s VAL 167 Cb 0.19 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3kew s VAL 167 CO 0.52 -0.01 0.28 -0.54 0.00 0.00 0.00 175.10 175.35 3kew s LYS 168 N 2.16 3.09 0.13 2.72 3.01 -1.26 -5.06 119.74 124.53 3kew s LYS 168 Ca 0.50 -0.93 0.09 0.00 -1.01 0.00 0.00 55.97 54.62 3kew s LYS 168 Cb -0.20 -3.93 -0.04 0.00 -1.01 0.00 0.00 37.83 32.65 3kew s LYS 168 CO 0.18 -0.68 -0.22 0.95 0.51 0.00 0.00 175.35 176.09 3kew s THR 169 N 1.69 1.93 -0.88 2.17 -4.23 -1.26 -4.87 115.64 110.19 3kew s THR 169 Ca 0.05 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.11 3kew s THR 169 Cb -0.19 -1.77 0.05 0.00 1.34 0.00 0.00 72.50 71.93 3kew s THR 169 CO 0.10 -0.07 1.45 0.54 -0.54 0.00 0.00 174.62 176.10 3kew n ARG 170 N 0.83 0.10 -4.66 3.99 1.74 -1.26 -4.81 116.66 112.59 3kew n ARG 170 Ca -0.17 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.61 3kew n ARG 170 Cb 0.54 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 3kew n ARG 170 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kew s ARG 171 N -3.06 2.57 0.42 5.56 0.52 -1.26 -5.11 118.95 118.58 3kew s ARG 171 Ca 0.10 -0.67 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 3kew s ARG 171 Cb 0.16 -2.47 -0.08 0.00 0.52 0.00 0.00 34.95 33.08 3kew s ARG 171 CO 0.68 0.63 1.32 0.00 0.02 0.00 0.00 175.30 177.95 3kew s ALA 172 N -0.85 3.24 0.44 2.13 0.00 -1.26 -5.02 121.76 120.44 3kew s ALA 172 Ca 0.14 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 3kew s ALA 172 Cb -0.11 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 3kew s ALA 172 CO 0.03 -0.88 0.96 -0.51 0.00 0.00 0.00 175.76 175.36 3kew s LEU 173 N -2.51 3.93 0.56 0.00 1.02 -1.26 -5.06 118.68 115.35 3kew s LEU 173 Ca 0.58 1.70 -0.15 0.00 0.02 0.00 0.00 54.13 56.28 3kew s LEU 173 Cb -0.38 -4.54 -0.06 0.00 0.02 0.00 0.00 46.19 41.23 3kew s LEU 173 CO 0.49 -0.39 1.01 -2.16 0.02 0.00 0.00 176.35 175.32 3kew s PRO 174 N -3.21 3.73 -1.31 1.29 0.05 -1.26 -5.25 135.00 129.04 3kew s PRO 174 Ca 0.62 0.93 -0.18 0.00 0.05 0.00 0.00 61.00 62.43 3kew s PRO 174 Cb -0.09 -2.10 0.04 0.00 0.05 0.00 0.00 34.50 32.40 3kew s PRO 174 CO 0.14 -0.46 1.87 1.63 0.05 0.00 0.00 177.00 180.23 3kew n LYS 175 N -2.01 2.94 -1.41 4.56 4.76 -1.26 -5.07 118.16 120.67 3kew n LYS 175 Ca 0.07 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.49 3kew n LYS 175 Cb 0.54 -3.45 0.00 0.00 -1.84 0.00 0.00 35.03 30.27 3kew n LYS 175 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kew n GLU 178 N 7.83 -2.76 -3.04 1.97 1.02 -1.26 -5.19 120.64 119.21 3kew n GLU 178 Ca 0.49 2.12 -0.39 0.00 -0.02 0.00 0.00 57.16 59.36 3kew n GLU 178 Cb 0.44 -2.77 -0.06 0.00 -0.02 0.00 0.00 31.44 29.04 3kew n GLU 178 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kew s GLU 179 N -4.50 4.49 0.08 3.49 -1.05 -1.26 -5.03 118.70 114.92 3kew s GLU 179 Ca 0.00 1.06 -0.31 0.00 -0.15 0.00 0.00 54.97 55.58 3kew s GLU 179 Cb 0.00 -3.26 -0.06 0.00 -0.44 0.00 0.00 34.13 30.36 3kew s GLU 179 CO 0.00 0.58 1.27 0.42 0.95 0.00 0.00 175.26 178.48 3kew s ILE 180 N -1.10 3.75 -0.02 1.83 1.09 -1.26 -5.03 121.20 120.46 3kew s ILE 180 Ca 0.34 1.26 0.02 0.00 -1.10 0.00 0.00 60.65 61.17 3kew s ILE 180 Cb -0.22 -3.81 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 3kew s ILE 180 CO 0.25 0.10 -0.05 -0.13 -0.10 0.00 0.00 174.94 175.00 3kew s ARG 181 N 1.11 2.67 -0.08 2.79 0.52 -1.26 -3.88 118.95 120.81 3kew s ARG 181 Ca 0.61 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 3kew s ARG 181 Cb -0.32 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 3kew s ARG 181 CO 0.29 0.63 -0.19 0.42 0.02 0.00 0.00 175.30 176.48 3kew s ILE 182 N -0.97 2.61 -0.22 1.52 -1.09 0.14 -1.37 121.20 121.83 3kew s ILE 182 Ca 0.16 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.69 3kew s ILE 182 Cb -0.11 -2.02 -0.01 0.00 -1.58 0.00 0.00 42.46 38.73 3kew s ILE 182 CO 0.06 0.56 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.61 3kew s VAL 183 N -0.09 3.47 -0.22 2.92 1.01 0.39 -1.37 120.40 126.51 3kew s VAL 183 Ca -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3kew s VAL 183 Cb -0.14 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3kew s VAL 183 CO 0.04 0.42 -0.15 -0.70 0.00 0.00 0.00 175.10 174.72 3kew s GLU 184 N 1.38 2.58 -0.59 2.72 2.12 0.12 -1.16 118.70 125.88 3kew s GLU 184 Ca 0.05 -1.11 -0.25 0.00 0.36 0.00 0.00 54.97 54.01 3kew s GLU 184 Cb -0.14 -2.75 0.04 0.00 0.26 0.00 0.00 34.13 31.53 3kew s GLU 184 CO -0.02 -0.41 1.02 0.42 -0.54 0.00 0.00 175.26 175.73 3kew s ILE 185 N 1.19 4.26 -0.03 -3.70 1.01 -0.49 -0.19 121.20 123.25 3kew s ILE 185 Ca -0.03 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3kew s ILE 185 Cb -0.17 -4.63 -0.09 0.00 0.01 0.00 0.00 42.46 37.59 3kew s ILE 185 CO -0.08 -1.27 2.02 0.52 0.00 0.00 0.00 174.94 176.12 3kew n VAL 186 N 6.25 0.67 -0.36 2.92 0.31 -0.21 -1.05 118.33 126.87 3kew n VAL 186 Ca 0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3kew n VAL 186 Cb 0.48 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 3kew n VAL 186 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kew n GLY 187 N 4.79 0.70 1.58 2.92 0.00 -1.26 -4.73 105.19 109.19 3kew n GLY 187 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3kew n GLY 187 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kew n LEU 188 N 0.00 0.34 -3.79 0.99 7.94 -0.21 -5.14 117.00 117.12 3kew n LEU 188 Ca 0.00 0.30 -0.11 0.00 -1.11 0.00 0.00 56.01 55.09 3kew n LEU 188 Cb 0.00 0.08 -0.08 0.00 0.53 0.00 0.00 43.42 43.95 3kew n LEU 188 CO 0.00 -0.72 -0.03 -0.62 -1.11 0.00 0.00 177.39 174.91 3kew s ASP 189 N -5.39 -0.07 -0.09 1.96 2.15 -0.72 -4.97 116.67 109.55 3kew s ASP 189 Ca 0.00 -0.22 -0.03 0.00 0.43 0.00 0.00 52.55 52.73 3kew s ASP 189 Cb 0.00 0.32 0.05 0.00 -0.30 0.00 0.00 42.92 42.99 3kew s ASP 189 CO 0.00 -0.56 0.16 -0.22 -0.17 0.00 0.00 175.17 174.38 3kew s LEU 190 N -1.93 -0.07 0.00 -1.34 0.20 -1.26 -1.40 118.68 112.89 3kew s LEU 190 Ca -0.07 0.28 0.02 0.00 0.69 0.00 0.00 54.13 55.05 3kew s LEU 190 Cb -0.02 0.26 -0.01 0.00 -0.43 0.00 0.00 46.19 45.99 3kew s LEU 190 CO -0.02 -0.25 -0.07 0.20 -0.29 0.00 0.00 176.35 175.92 3kew s ASN 191 N 2.29 0.80 0.02 3.68 0.01 -0.31 -4.74 114.94 116.70 3kew s ASN 191 Ca 0.03 -0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 51.69 3kew s ASN 191 Cb -0.12 -0.07 -0.07 0.00 0.41 0.00 0.00 41.25 41.40 3kew s ASN 191 CO -0.06 0.04 1.54 0.00 -1.51 0.00 0.00 177.10 177.10 3kew s ALA 192 N -0.36 3.63 -0.28 0.60 0.00 -1.26 -0.46 121.76 123.64 3kew s ALA 192 Ca 0.01 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3kew s ALA 192 Cb -0.04 -3.66 0.08 0.00 0.00 0.00 0.00 23.12 19.50 3kew s ALA 192 CO -0.00 -1.05 0.72 0.00 0.00 0.00 0.00 175.76 175.42 3kew s GLY 195 N -0.95 1.76 -0.21 0.00 0.00 -1.26 -4.57 107.32 102.08 3kew s GLY 195 Ca 0.46 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 3kew s GLY 195 CO 0.28 -0.52 -0.13 0.14 0.00 0.00 0.00 173.10 172.87 3kew s VAL 196 N -3.72 2.49 0.22 1.40 1.01 -1.26 -5.08 120.40 115.46 3kew s VAL 196 Ca 0.71 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.83 3kew s VAL 196 Cb -0.05 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3kew s VAL 196 CO 0.51 0.37 -0.20 -1.00 0.00 0.00 0.00 175.10 174.77 3kew s HIS 197 N 1.31 2.35 0.86 5.22 4.02 -1.26 -4.35 115.29 123.43 3kew s HIS 197 Ca 0.02 -0.33 -0.11 0.00 1.02 0.00 0.00 55.06 55.67 3kew s HIS 197 Cb -0.15 -1.11 0.11 0.00 -1.02 0.00 0.00 32.58 30.41 3kew s HIS 197 CO -0.08 0.58 1.14 -2.14 1.02 0.00 0.00 174.74 175.25 3kew s PRO 198 N -3.01 1.47 0.00 8.40 0.02 -1.26 -4.93 135.00 135.69 3kew s PRO 198 Ca 0.25 1.46 0.28 0.00 0.02 0.00 0.00 61.00 63.00 3kew s PRO 198 Cb -0.07 -1.79 1.08 0.00 0.02 0.00 0.00 34.50 33.74 3kew s PRO 198 CO 0.13 -2.28 1.76 0.54 -0.33 0.00 0.00 177.00 176.82 3kew n ARG 199 N -3.90 0.93 -3.72 5.54 1.74 -1.26 -4.66 116.66 111.31 3kew n ARG 199 Ca 0.11 -0.43 -0.09 0.00 -0.77 0.00 0.00 57.85 56.66 3kew n ARG 199 Cb 0.52 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3kew n ARG 199 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kew s ASN 200 N -2.37 -0.30 0.36 0.55 2.20 -1.26 -0.49 114.94 113.62 3kew s ASN 200 Ca 0.30 -0.45 0.19 0.00 -0.94 0.00 0.00 52.86 51.96 3kew s ASN 200 Cb 0.20 0.61 0.37 0.00 -2.00 0.00 0.00 41.25 40.44 3kew s ASN 200 CO 0.46 -1.10 1.59 0.71 -2.94 0.00 0.00 177.10 175.82 3kew h THR 201 N 2.13 0.59 -0.92 0.54 1.35 -1.62 -3.23 112.91 111.75 3kew h THR 201 Ca -0.27 -1.65 0.01 0.00 -0.55 0.00 0.00 66.41 63.94 3kew h THR 201 Cb 1.27 2.15 -0.05 0.00 -1.73 0.00 0.00 68.15 69.79 3kew h THR 201 CO 0.34 0.31 0.61 -0.09 -0.25 0.00 0.00 175.52 176.44 3kew h ARG 202 N 0.00 1.21 0.00 4.72 9.65 -1.83 -1.76 114.38 126.37 3kew h ARG 202 Ca -0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3kew h ARG 202 Cb 1.12 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 3kew h ARG 202 CO 0.04 0.80 0.33 -0.44 2.80 0.00 0.00 179.97 183.51 3kew h ASP 203 N 1.25 0.00 1.17 -3.80 3.45 -1.89 -0.86 116.42 115.74 3kew h ASP 203 Ca 0.34 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.75 3kew h ASP 203 Cb -0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 3kew h ASP 203 CO -0.07 0.00 -0.22 -0.07 -1.57 0.00 0.00 179.24 177.31 3kew h LEU 204 N 0.00 0.00 0.00 1.55 4.07 -1.52 -3.47 115.31 115.94 3kew h LEU 204 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kew h LEU 204 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 3kew h LEU 204 CO 0.00 0.22 0.00 0.00 -1.08 0.00 0.00 178.44 177.58 3kew n GLN 205 N -3.29 0.00 -3.62 1.13 6.02 -0.33 -1.58 117.38 115.72 3kew n GLN 205 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.85 3kew n GLN 205 Cb 0.48 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.67 3kew n GLN 205 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kew s VAL 206 N 0.00 0.01 -0.05 5.09 0.11 -1.26 -4.95 120.40 119.34 3kew s VAL 206 Ca 0.00 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 3kew s VAL 206 Cb 0.00 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 3kew s VAL 206 CO 0.00 -0.03 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.88 3kew s ILE 207 N -0.40 1.90 -0.07 7.04 1.01 -1.26 -1.14 121.20 128.27 3kew s ILE 207 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.64 3kew s ILE 207 Cb -0.03 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3kew s ILE 207 CO 0.05 0.53 -0.13 -0.54 0.00 0.00 0.00 174.94 174.84 3kew s LYS 208 N -0.12 1.83 -0.26 2.79 1.02 -0.30 -4.86 119.74 119.85 3kew s LYS 208 Ca -0.04 -0.46 -0.23 0.00 0.02 0.00 0.00 55.97 55.27 3kew s LYS 208 Cb -0.13 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3kew s LYS 208 CO 0.03 0.04 0.74 0.42 -0.92 0.00 0.00 175.35 175.66 3kew s ILE 209 N 0.64 4.89 -0.09 2.17 1.01 -1.26 -1.38 121.20 127.18 3kew s ILE 209 Ca -0.15 1.31 -0.08 0.00 0.00 0.00 0.00 60.65 61.74 3kew s ILE 209 Cb -0.16 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 3kew s ILE 209 CO 0.04 -0.06 0.28 0.03 0.00 0.00 0.00 174.94 175.23 3kew h ARG 210 N 7.85 -0.12 -3.27 2.79 2.47 -1.54 -3.49 114.38 119.06 3kew h ARG 210 Ca -0.25 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.43 3kew h ARG 210 Cb 1.11 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.42 3kew h ARG 210 CO 0.83 0.05 0.14 -0.98 0.56 0.00 0.00 179.97 180.57 3kew s ARG 211 N -2.13 2.03 0.18 0.04 1.70 -1.22 -5.04 118.95 114.51 3kew s ARG 211 Ca -0.05 -1.40 -0.16 0.00 -0.47 0.00 0.00 55.73 53.65 3kew s ARG 211 Cb -0.00 0.58 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 3kew s ARG 211 CO 0.16 -0.92 0.48 1.67 -1.08 0.00 0.00 175.30 175.61 3kew s TRP 212 N -2.91 -0.08 0.11 5.89 -2.14 -1.26 -0.98 118.94 117.56 3kew s TRP 212 Ca 0.18 -0.25 -0.20 0.00 2.66 0.00 0.00 56.10 58.49 3kew s TRP 212 Cb -0.04 0.33 0.05 0.00 -3.10 0.00 0.00 33.47 30.71 3kew s TRP 212 CO 0.12 -0.86 0.49 -1.83 -2.66 0.00 0.00 176.95 172.21 3kew s GLU 213 N -3.87 1.11 0.20 3.25 -1.05 -0.57 -4.99 118.70 112.78 3kew s GLU 213 Ca 0.09 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.11 3kew s GLU 213 Cb -0.00 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 34.10 3kew s GLU 213 CO -0.04 -0.44 1.39 0.21 0.95 0.00 0.00 175.26 177.34 3kew s LYS 214 N -3.34 4.32 -0.30 -4.83 2.20 -1.26 0.26 119.74 116.78 3kew s LYS 214 Ca -0.00 2.18 -0.02 0.00 -0.36 0.00 0.00 55.97 57.76 3kew s LYS 214 Cb 0.00 -3.17 0.10 0.00 -1.51 0.00 0.00 37.83 33.25 3kew s LYS 214 CO -0.09 -0.38 0.11 -1.58 -0.36 0.00 0.00 175.35 173.05 3kew s HIS 215 N 0.32 1.15 0.00 4.03 2.46 -0.35 -4.83 115.29 118.07 3kew s HIS 215 Ca 0.60 -1.38 0.00 0.00 0.47 0.00 0.00 55.06 54.75 3kew s HIS 215 Cb -0.39 -1.38 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 3kew s HIS 215 CO 0.38 -0.85 0.00 1.63 -2.47 0.00 0.00 174.74 173.43 3kew n LYS 216 N 5.01 0.00 -0.32 2.88 5.02 -1.26 -1.74 118.16 127.75 3kew n LYS 216 Ca -0.04 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.35 3kew n LYS 216 Cb 0.42 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.69 3kew n LYS 216 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kew n ASN 217 N 9.59 3.23 -4.56 4.39 3.02 -1.26 -4.95 115.26 124.72 3kew n ASN 217 Ca 0.00 -2.04 -0.26 0.00 -0.03 0.00 0.00 54.58 52.25 3kew n ASN 217 Cb 0.00 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 3kew n ASN 217 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kew s ALA 218 N -1.27 2.92 -0.25 5.41 0.00 -0.71 -0.76 121.76 127.08 3kew s ALA 218 Ca 0.40 -2.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.10 3kew s ALA 218 Cb 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3kew s ALA 218 CO 0.26 -0.11 0.05 0.99 0.00 0.00 0.00 175.76 176.95 3kew s THR 219 N -2.82 4.06 -0.31 0.00 2.01 0.76 -1.22 115.64 118.13 3kew s THR 219 Ca 0.34 -0.34 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 3kew s THR 219 Cb 0.08 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 3kew s THR 219 CO 0.17 0.30 0.65 -0.60 -0.69 0.00 0.00 174.62 174.45 3kew s ARG 220 N 1.57 3.90 -0.20 4.92 3.52 0.14 -1.39 118.95 131.40 3kew s ARG 220 Ca 0.05 0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 55.93 3kew s ARG 220 Cb -0.15 -3.73 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 3kew s ARG 220 CO 0.02 -0.60 -0.01 0.42 -0.81 0.00 0.00 175.30 174.32 3kew s ILE 221 N 2.66 3.83 -0.13 4.11 1.01 -0.32 -1.51 121.20 130.86 3kew s ILE 221 Ca 0.26 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 3kew s ILE 221 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3kew s ILE 221 CO 0.12 0.43 0.42 -1.61 0.00 0.00 0.00 174.94 174.30 3kew s GLU 222 N 1.04 4.30 0.09 2.79 2.02 -0.15 -1.39 118.70 127.39 3kew s GLU 222 Ca 0.02 0.34 -0.04 0.00 0.02 0.00 0.00 54.97 55.31 3kew s GLU 222 Cb -0.14 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 3kew s GLU 222 CO 0.01 0.20 0.07 1.52 0.02 0.00 0.00 175.26 177.08 3kew s TYR 223 N 0.51 0.49 0.00 1.61 1.13 -0.39 -1.27 117.35 119.45 3kew s TYR 223 Ca 0.23 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 3kew s TYR 223 Cb -0.14 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.41 3kew s TYR 223 CO 0.08 -0.48 -0.01 0.08 -2.51 0.00 0.00 175.55 172.71 3kew s VAL 224 N -3.94 0.07 0.27 -3.49 1.01 -0.48 -2.79 120.40 111.05 3kew s VAL 224 Ca 0.11 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.95 3kew s VAL 224 Cb 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 3kew s VAL 224 CO -0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 175.10 174.84 3kew s ALA 225 N -0.32 2.34 0.00 5.51 0.00 -1.26 -1.15 121.76 126.89 3kew s ALA 225 Ca -0.03 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.08 3kew s ALA 225 Cb -0.02 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3kew s ALA 225 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3kew n GLY 226 N -0.55 1.78 0.22 0.00 0.00 -0.29 -3.70 105.19 102.64 3kew n GLY 226 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.34 3kew n GLY 226 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kew h ASN 227 N 9.53 0.20 0.66 1.61 -1.24 -1.91 -1.79 115.58 122.66 3kew h ASN 227 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3kew h ASN 227 Cb 0.00 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 38.99 3kew h ASN 227 CO 0.00 0.47 0.00 0.54 -1.29 0.00 0.00 177.43 177.15 3kew n ARG 228 N -4.17 0.18 0.11 6.67 1.74 -1.24 -2.48 116.66 117.47 3kew n ARG 228 Ca -0.01 0.42 0.10 0.00 -0.77 0.00 0.00 57.85 57.60 3kew n ARG 228 Cb 0.36 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3kew n ARG 228 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kew h ALA 229 N 2.27 0.55 0.00 7.54 0.00 -1.45 -3.48 119.26 124.69 3kew h ALA 229 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kew h ALA 229 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kew h ALA 229 CO 0.00 0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.67