#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku4 s ASP 16 N 0.00 6.76 0.38 1.20 1.01 -1.26 -4.31 116.67 120.45 3ku4 s ASP 16 Ca 0.00 1.92 -0.27 0.00 0.71 0.00 0.00 52.55 54.91 3ku4 s ASP 16 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3ku4 s ASP 16 CO 0.00 -0.48 1.31 -0.22 0.21 0.00 0.00 175.17 175.99 3ku4 s LEU 17 N -2.88 4.29 0.06 1.23 2.96 -1.26 -1.81 118.68 121.27 3ku4 s LEU 17 Ca 0.60 2.68 -0.31 0.00 -0.22 0.00 0.00 54.13 56.89 3ku4 s LEU 17 Cb -0.18 -3.80 -0.08 0.00 0.50 0.00 0.00 46.19 42.63 3ku4 s LEU 17 CO 0.22 -0.74 1.62 -0.69 -1.32 0.00 0.00 176.35 175.45 3ku4 s VAL 18 N -1.21 3.09 0.20 1.68 1.01 -0.66 -4.95 120.40 119.56 3ku4 s VAL 18 Ca 0.54 0.55 0.09 0.00 0.00 0.00 0.00 61.98 63.15 3ku4 s VAL 18 Cb -0.39 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3ku4 s VAL 18 CO 0.51 -0.00 -0.06 -1.10 0.00 0.00 0.00 175.10 174.45 3ku4 s GLN 19 N 2.57 2.16 0.34 2.72 -1.52 -1.26 -4.60 119.66 120.06 3ku4 s GLN 19 Ca 0.73 -1.27 0.04 0.00 -1.95 0.00 0.00 55.36 52.91 3ku4 s GLN 19 Cb -0.39 -2.19 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 3ku4 s GLN 19 CO 0.32 0.42 0.50 -0.51 -0.25 0.00 0.00 175.29 175.77 3ku4 s LEU 20 N -3.00 3.99 -0.57 2.90 1.43 -1.26 -4.88 118.68 117.29 3ku4 s LEU 20 Ca 0.27 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 3ku4 s LEU 20 Cb -0.08 -2.93 0.40 0.00 0.03 0.00 0.00 46.19 43.61 3ku4 s LEU 20 CO 0.17 -0.39 1.46 0.00 0.23 0.00 0.00 176.35 177.82 3ku4 s ASN 22 N -2.68 0.01 0.65 0.00 2.47 -1.26 -5.02 114.94 109.12 3ku4 s ASN 22 Ca 0.51 -0.47 0.34 0.00 0.42 0.00 0.00 52.86 53.65 3ku4 s ASN 22 Cb 0.42 1.25 1.86 0.00 -1.45 0.00 0.00 41.25 43.34 3ku4 s ASN 22 CO -0.23 -0.32 2.08 1.55 -3.72 0.00 0.00 177.10 176.46 3ku4 h PRO 23 N 7.91 0.00 -0.04 0.43 0.13 -2.04 -2.44 132.00 135.96 3ku4 h PRO 23 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 3ku4 h PRO 23 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3ku4 h PRO 23 CO 0.23 0.00 -0.40 0.45 -0.23 0.00 0.00 178.00 178.05 3ku4 h HIS 24 N 0.00 0.09 -0.19 1.56 3.86 -1.99 -3.29 115.15 115.19 3ku4 h HIS 24 Ca 0.02 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3ku4 h HIS 24 Cb 0.47 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3ku4 h HIS 24 CO 0.00 0.47 0.02 0.82 0.86 0.00 0.00 177.93 180.10 3ku4 h ILE 25 N 0.07 1.23 0.00 2.45 1.08 -1.86 -2.46 117.51 118.02 3ku4 h ILE 25 Ca 0.00 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 3ku4 h ILE 25 Cb 0.74 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3ku4 h ILE 25 CO 0.05 0.23 -0.06 0.00 -0.69 0.00 0.00 178.15 177.69 3ku4 h ALA 26 N 0.81 1.71 -0.02 1.87 0.00 -1.77 -1.76 119.26 120.10 3ku4 h ALA 26 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ku4 h ALA 26 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ku4 h ALA 26 CO 0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3ku4 n ALA 27 N -2.44 2.63 -2.46 0.00 0.00 -0.94 -4.84 120.51 112.46 3ku4 n ALA 27 Ca -0.03 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.74 3ku4 n ALA 27 Cb 0.14 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 3ku4 n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ku4 s MET 28 N -1.98 4.30 0.15 0.00 1.00 -0.66 -4.96 119.30 117.14 3ku4 s MET 28 Ca 0.40 0.73 -0.13 0.00 0.00 0.00 0.00 55.69 56.69 3ku4 s MET 28 Cb 0.20 -3.33 0.02 0.00 0.00 0.00 0.00 34.83 31.72 3ku4 s MET 28 CO 0.32 0.41 1.63 0.87 0.00 0.00 0.00 175.02 178.25 3ku4 h LYS 29 N 5.49 0.82 -4.55 2.03 6.56 -1.88 -3.43 116.57 121.61 3ku4 h LYS 29 Ca -0.46 -0.23 -0.46 0.00 -1.06 0.00 0.00 60.65 58.44 3ku4 h LYS 29 Cb 1.20 -0.09 -0.32 0.00 -0.57 0.00 0.00 32.23 32.45 3ku4 h LYS 29 CO 0.69 0.83 -0.80 -2.00 -2.06 0.00 0.00 179.45 176.11 3ku4 s GLU 30 N -5.17 1.23 -0.29 3.15 2.12 -1.26 -4.93 118.70 113.55 3ku4 s GLU 30 Ca -0.13 -0.33 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 3ku4 s GLU 30 Cb 0.11 -1.10 0.02 0.00 0.26 0.00 0.00 34.13 33.43 3ku4 s GLU 30 CO 0.80 0.07 0.03 0.34 -0.54 0.00 0.00 175.26 175.96 3ku4 s ASP 31 N 0.43 4.88 -0.20 -1.70 2.15 -1.26 -5.03 116.67 115.94 3ku4 s ASP 31 Ca -0.08 -0.89 -0.12 0.00 0.43 0.00 0.00 52.55 51.88 3ku4 s ASP 31 Cb -0.12 -1.79 -0.05 0.00 -0.30 0.00 0.00 42.92 40.66 3ku4 s ASP 31 CO 0.02 -0.20 0.23 -0.63 -0.17 0.00 0.00 175.17 174.41 3ku4 s ILE 32 N 1.40 5.33 -0.82 4.11 1.01 -1.26 -2.43 121.20 128.53 3ku4 s ILE 32 Ca 0.00 0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 3ku4 s ILE 32 Cb -0.18 -3.56 0.11 0.00 0.01 0.00 0.00 42.46 38.84 3ku4 s ILE 32 CO -0.00 0.36 1.04 -0.76 0.00 0.00 0.00 174.94 175.59 3ku4 s LEU 33 N 0.78 4.89 0.32 2.97 1.43 0.81 -4.91 118.68 124.97 3ku4 s LEU 33 Ca 0.12 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 3ku4 s LEU 33 Cb -0.13 -2.40 0.52 0.00 0.03 0.00 0.00 46.19 44.22 3ku4 s LEU 33 CO 0.03 -1.18 1.96 1.88 0.23 0.00 0.00 176.35 179.27 3ku4 h TYR 34 N 9.07 0.88 0.00 0.29 0.05 -1.96 0.65 116.97 125.96 3ku4 h TYR 34 Ca -0.01 -0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.52 3ku4 h TYR 34 Cb 1.04 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 3ku4 h TYR 34 CO 1.08 0.60 -1.32 0.45 -1.05 0.00 0.00 178.16 177.91 3ku4 h HIS 35 N 0.93 0.00 0.00 4.88 3.86 -1.95 -3.09 115.15 119.78 3ku4 h HIS 35 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3ku4 h HIS 35 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3ku4 h HIS 35 CO 0.00 0.99 0.00 0.74 0.86 0.00 0.00 177.93 180.53 3ku4 h PHE 36 N 0.00 0.00 -6.35 2.45 0.05 -1.88 -2.62 116.94 108.58 3ku4 h PHE 36 Ca -0.14 0.00 -0.47 0.00 3.82 0.00 0.00 57.97 61.18 3ku4 h PHE 36 Cb 1.88 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.82 3ku4 h PHE 36 CO 0.00 0.00 -0.88 0.45 -0.18 0.00 0.00 178.31 177.70 3ku4 n SER 37 N -2.33 -0.97 -4.26 2.17 2.88 0.19 -0.89 113.62 110.42 3ku4 n SER 37 Ca 0.05 -0.95 -0.27 0.00 -1.33 0.00 0.00 58.87 56.37 3ku4 n SER 37 Cb 0.44 -3.37 -0.15 0.00 -0.75 0.00 0.00 64.21 60.38 3ku4 n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ku4 s LEU 38 N -6.84 2.12 0.03 2.46 1.02 -0.99 -4.52 118.68 111.97 3ku4 s LEU 38 Ca 0.04 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.74 3ku4 s LEU 38 Cb -0.01 -1.05 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 3ku4 s LEU 38 CO 0.86 0.21 -0.10 -0.55 0.02 0.00 0.00 176.35 176.79 3ku4 s SER 39 N -0.96 1.14 0.58 2.29 0.15 -1.26 -0.14 113.70 115.50 3ku4 s SER 39 Ca 0.08 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 56.63 3ku4 s SER 39 Cb -0.09 -0.06 1.74 0.00 -1.71 0.00 0.00 66.02 65.91 3ku4 s SER 39 CO 0.01 -0.02 2.22 0.71 1.20 0.00 0.00 173.24 177.36 3ku4 h THR 40 N 4.65 0.57 0.00 6.45 1.35 -1.70 0.22 112.91 124.45 3ku4 h THR 40 Ca -0.34 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.45 3ku4 h THR 40 Cb 1.19 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3ku4 h THR 40 CO 0.45 0.00 -0.88 0.77 -0.25 0.00 0.00 175.52 175.61 3ku4 h SER 41 N 0.00 0.00 0.00 5.36 4.64 -1.92 -3.36 113.55 118.27 3ku4 h SER 41 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ku4 h SER 41 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3ku4 h SER 41 CO -0.00 0.26 -1.30 0.35 -0.87 0.00 0.00 176.83 175.27 3ku4 n THR 42 N -2.91 0.00 -4.46 2.95 -2.24 -0.85 -4.99 114.28 101.79 3ku4 n THR 42 Ca -0.02 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 3ku4 n THR 42 Cb 0.67 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 3ku4 n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ku4 s HIS 43 N -2.82 0.96 -0.94 4.78 4.02 0.70 -4.94 115.29 117.05 3ku4 s HIS 43 Ca -0.01 -0.19 -0.19 0.00 1.02 0.00 0.00 55.06 55.69 3ku4 s HIS 43 Cb 0.11 -0.62 0.12 0.00 -1.02 0.00 0.00 32.58 31.17 3ku4 s HIS 43 CO 0.64 -0.02 1.16 0.34 1.02 0.00 0.00 174.74 177.88 3ku4 s ASP 44 N -0.22 6.63 0.11 1.40 3.68 -1.26 -4.47 116.67 122.54 3ku4 s ASP 44 Ca 0.04 -2.01 -0.25 0.00 2.13 0.00 0.00 52.55 52.45 3ku4 s ASP 44 Cb -0.04 -2.41 -0.07 0.00 -1.45 0.00 0.00 42.92 38.94 3ku4 s ASP 44 CO -0.00 -1.10 1.65 -0.26 0.13 0.00 0.00 175.17 175.59 3ku4 h PHE 45 N 8.89 -0.56 -0.52 -5.34 -1.00 -1.89 -0.45 116.94 116.07 3ku4 h PHE 45 Ca 0.16 0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.06 3ku4 h PHE 45 Cb 1.02 0.24 -0.08 0.00 3.61 0.00 0.00 35.95 40.74 3ku4 h PHE 45 CO 1.18 -0.30 0.04 -1.35 -1.61 0.00 0.00 178.31 176.26 3ku4 h PRO 46 N -0.36 0.15 -0.54 1.51 0.11 -1.76 0.16 132.00 131.27 3ku4 h PRO 46 Ca 0.04 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3ku4 h PRO 46 Cb 0.42 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 3ku4 h PRO 46 CO -0.16 0.10 0.24 0.00 -0.21 0.00 0.00 178.00 177.97 3ku4 h ALA 47 N 1.44 1.40 0.25 -0.75 0.00 -1.80 0.22 119.26 120.03 3ku4 h ALA 47 Ca 0.26 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 3ku4 h ALA 47 Cb 0.39 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ku4 h ALA 47 CO -0.40 0.46 -1.50 0.52 0.00 0.00 0.00 179.25 178.33 3ku4 h MET 48 N 0.76 0.53 0.00 0.00 2.86 0.07 -3.41 114.93 115.74 3ku4 h MET 48 Ca 0.19 -0.90 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 3ku4 h MET 48 Cb 0.12 0.34 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3ku4 h MET 48 CO -0.02 1.43 0.00 1.19 1.06 0.00 0.00 176.91 180.57 3ku4 n PHE 49 N -3.70 0.00 -0.10 -0.22 3.01 0.46 -4.86 117.46 112.05 3ku4 n PHE 49 Ca -0.17 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.52 3ku4 n PHE 49 Cb 1.10 0.00 0.68 0.00 -0.01 0.00 0.00 39.48 41.25 3ku4 n PHE 49 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3ku4 h GLY 50 N 0.00 0.11 -1.90 1.37 0.00 -0.61 0.06 103.07 102.11 3ku4 h GLY 50 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ku4 h GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3ku4 n ASP 51 N -4.35 2.84 -4.71 0.19 3.85 -1.26 -4.41 116.55 108.69 3ku4 n ASP 51 Ca 0.14 -1.96 -0.42 0.00 -0.71 0.00 0.00 54.79 51.84 3ku4 n ASP 51 Cb 0.74 -0.31 -0.03 0.00 -1.35 0.00 0.00 41.12 40.17 3ku4 n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3ku4 s VAL 52 N -1.38 3.02 -0.01 2.12 1.01 0.01 -4.44 120.40 120.74 3ku4 s VAL 52 Ca 0.36 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3ku4 s VAL 52 Cb 0.19 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3ku4 s VAL 52 CO 0.26 0.05 0.02 0.29 0.00 0.00 0.00 175.10 175.72 3ku4 n LYS 53 N 4.06 1.44 -4.13 2.72 4.76 0.09 -4.51 118.16 122.58 3ku4 n LYS 53 Ca 0.13 -0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 3ku4 n LYS 53 Cb 0.41 -1.03 -0.17 0.00 -1.84 0.00 0.00 35.03 32.40 3ku4 n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3ku4 s PHE 54 N -2.06 1.81 -0.31 2.13 0.40 -0.46 -0.55 117.98 118.94 3ku4 s PHE 54 Ca -0.00 -0.91 -0.00 0.00 -0.60 0.00 0.00 56.93 55.41 3ku4 s PHE 54 Cb 0.01 -1.37 0.07 0.00 0.51 0.00 0.00 43.02 42.23 3ku4 s PHE 54 CO 0.05 -0.53 0.02 0.08 0.70 0.00 0.00 175.22 175.53 3ku4 s VAL 55 N 1.37 2.80 -0.18 -0.44 1.01 0.36 -0.52 120.40 124.80 3ku4 s VAL 55 Ca 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 61.98 60.25 3ku4 s VAL 55 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3ku4 s VAL 55 CO -0.06 -0.24 0.11 0.00 0.00 0.00 0.00 175.10 174.91 3ku4 s VAL 57 N 0.09 1.60 0.15 0.00 -7.23 0.35 -1.29 120.40 114.06 3ku4 s VAL 57 Ca 0.08 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.18 3ku4 s VAL 57 Cb -0.11 -1.71 0.08 0.00 0.56 0.00 0.00 36.38 35.19 3ku4 s VAL 57 CO -0.00 -0.37 1.06 -0.83 -0.31 0.00 0.00 175.10 174.65 3ku4 s GLY 58 N -2.59 -0.01 0.03 2.32 0.00 -0.88 -0.84 107.32 105.35 3ku4 s GLY 58 Ca 0.13 -0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.44 3ku4 s GLY 58 CO 0.05 2.06 1.23 -1.33 0.00 0.00 0.00 173.10 175.11 3ku4 h GLY 59 N 2.00 -0.99 -4.46 0.20 0.00 -1.83 0.60 103.07 98.59 3ku4 h GLY 59 Ca -0.27 0.37 -0.63 0.00 0.00 0.00 0.00 47.33 46.80 3ku4 h GLY 59 CO 0.33 -0.36 -0.59 -1.35 0.00 0.00 0.00 176.54 174.57 3ku4 s SER 60 N -3.87 5.52 0.27 0.19 1.04 -1.26 -0.75 113.70 114.84 3ku4 s SER 60 Ca -0.14 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 3ku4 s SER 60 Cb 0.01 -1.47 0.44 0.00 0.10 0.00 0.00 66.02 65.10 3ku4 s SER 60 CO 0.41 0.15 1.86 -0.65 0.98 0.00 0.00 173.24 176.00 3ku4 h PRO 61 N 3.11 1.06 -0.63 4.02 0.11 -1.89 -1.98 132.00 135.80 3ku4 h PRO 61 Ca -0.47 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3ku4 h PRO 61 Cb 1.17 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 3ku4 h PRO 61 CO 0.65 0.70 0.22 0.66 -0.21 0.00 0.00 178.00 180.02 3ku4 h SER 62 N 1.09 0.90 -0.93 -2.05 4.64 -1.99 0.22 113.55 115.44 3ku4 h SER 62 Ca 0.44 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3ku4 h SER 62 Cb 0.26 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 3ku4 h SER 62 CO -0.20 0.86 0.59 -0.09 -0.87 0.00 0.00 176.83 177.11 3ku4 h ARG 63 N 0.90 1.25 0.00 4.77 2.43 -1.83 -1.99 114.38 119.91 3ku4 h ARG 63 Ca 0.21 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 3ku4 h ARG 63 Cb 0.26 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3ku4 h ARG 63 CO -0.01 0.85 -0.74 0.52 -1.51 0.00 0.00 179.97 179.08 3ku4 h MET 64 N 1.27 0.00 -0.25 0.20 2.86 -0.87 -1.59 114.93 116.55 3ku4 h MET 64 Ca 0.34 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.79 3ku4 h MET 64 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3ku4 h MET 64 CO -0.07 0.49 -0.58 -0.22 1.06 0.00 0.00 176.91 177.59 3ku4 h LYS 65 N 0.00 0.83 -0.61 1.72 3.64 -0.51 -2.01 116.57 119.63 3ku4 h LYS 65 Ca -0.04 -0.56 -0.05 0.00 -1.27 0.00 0.00 60.65 58.73 3ku4 h LYS 65 Cb 1.45 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.32 3ku4 h LYS 65 CO 0.06 1.19 0.19 0.00 -2.27 0.00 0.00 179.45 178.63 3ku4 h ALA 66 N 0.64 1.18 0.02 5.00 0.00 -1.29 -1.83 119.26 122.98 3ku4 h ALA 66 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ku4 h ALA 66 Cb 1.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ku4 h ALA 66 CO 0.13 0.57 -0.01 0.35 0.00 0.00 0.00 179.25 180.29 3ku4 h PHE 67 N 0.90 -0.03 -0.82 0.00 3.04 -1.21 -1.13 116.94 117.69 3ku4 h PHE 67 Ca 0.20 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 3ku4 h PHE 67 Cb 0.26 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 3ku4 h PHE 67 CO 0.02 0.08 0.39 0.97 -2.02 0.00 0.00 178.31 177.74 3ku4 h ILE 68 N -0.13 1.26 -0.45 1.41 6.09 -1.16 -1.05 117.51 123.48 3ku4 h ILE 68 Ca -0.00 -0.73 0.03 0.00 -1.37 0.00 0.00 64.86 62.79 3ku4 h ILE 68 Cb 0.12 0.21 -0.04 0.00 0.47 0.00 0.00 36.82 37.59 3ku4 h ILE 68 CO 0.01 0.31 0.24 0.11 -3.07 0.00 0.00 178.15 175.74 3ku4 h LYS 69 N 1.17 0.46 0.00 2.19 1.57 -1.30 -0.83 116.57 119.84 3ku4 h LYS 69 Ca 0.28 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ku4 h LYS 69 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3ku4 h LYS 69 CO -0.03 0.30 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.23 3ku4 h TYR 70 N 0.47 -0.00 -0.06 -1.35 3.20 -0.60 -2.78 116.97 115.84 3ku4 h TYR 70 Ca 0.19 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 3ku4 h TYR 70 Cb 0.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3ku4 h TYR 70 CO -0.09 0.11 -0.49 -0.39 -1.64 0.00 0.00 178.16 175.66 3ku4 h VAL 71 N -0.12 1.35 -0.52 1.81 -1.51 -1.10 -2.09 116.25 114.06 3ku4 h VAL 71 Ca -0.00 -1.70 0.04 0.00 -1.23 0.00 0.00 66.70 63.81 3ku4 h VAL 71 Cb 0.12 1.85 -0.04 0.00 -2.13 0.00 0.00 31.29 31.09 3ku4 h VAL 71 CO 0.00 0.50 0.27 0.00 -1.23 0.00 0.00 177.57 177.11 3ku4 h ALA 72 N 1.38 0.67 -0.27 5.19 0.00 -1.08 0.30 119.26 125.45 3ku4 h ALA 72 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ku4 h ALA 72 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ku4 h ALA 72 CO 0.07 -0.06 0.14 0.52 0.00 0.00 0.00 179.25 179.91 3ku4 h MET 73 N 0.53 0.39 -0.14 0.00 2.07 -1.19 0.16 114.93 116.74 3ku4 h MET 73 Ca 0.23 -0.05 -0.09 0.00 -2.07 0.00 0.00 59.70 57.72 3ku4 h MET 73 Cb 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 3ku4 h MET 73 CO -0.15 0.37 -0.29 0.93 1.07 0.00 0.00 176.91 178.84 3ku4 h GLU 74 N 0.31 0.27 -0.00 1.72 4.39 -1.04 -2.82 114.58 117.41 3ku4 h GLU 74 Ca 0.09 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ku4 h GLU 74 Cb 0.10 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3ku4 h GLU 74 CO -0.01 0.54 -0.27 1.28 -1.16 0.00 0.00 179.01 179.40 3ku4 n LEU 75 N -4.12 0.34 0.00 1.33 4.77 0.06 -4.93 117.00 114.45 3ku4 n LEU 75 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3ku4 n LEU 75 Cb 0.40 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ku4 n LEU 75 CO 0.40 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3ku4 n GLY 76 N 1.47 0.73 0.10 -0.72 0.00 -0.91 -4.96 105.19 100.91 3ku4 n GLY 76 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3ku4 n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ku4 h PHE 77 N 0.00 0.00 -3.48 1.61 -1.00 -0.96 -3.47 116.94 109.64 3ku4 h PHE 77 Ca 0.00 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.26 3ku4 h PHE 77 Cb 0.00 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.60 3ku4 h PHE 77 CO 0.00 0.00 0.67 0.00 -1.61 0.00 0.00 178.31 177.37 3ku4 s ALA 78 N -3.13 3.54 -0.03 2.45 0.00 -0.86 -4.94 121.76 118.79 3ku4 s ALA 78 Ca 0.09 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3ku4 s ALA 78 Cb 0.12 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3ku4 s ALA 78 CO 0.64 -0.60 -0.06 -1.01 0.00 0.00 0.00 175.76 174.73 3ku4 s HIS 79 N -0.19 0.78 0.00 0.00 3.76 -1.26 -4.97 115.29 113.41 3ku4 s HIS 79 Ca 0.56 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 55.04 3ku4 s HIS 79 Cb -0.38 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.64 3ku4 s HIS 79 CO 0.42 -0.13 0.66 -1.25 -0.85 0.00 0.00 174.74 173.59 3ku4 s PRO 80 N 0.48 4.38 -0.65 8.40 0.05 -1.26 -1.59 135.00 144.81 3ku4 s PRO 80 Ca -0.07 0.84 0.03 0.00 0.05 0.00 0.00 61.00 61.86 3ku4 s PRO 80 Cb -0.10 -3.36 0.16 0.00 0.05 0.00 0.00 34.50 31.24 3ku4 s PRO 80 CO 0.00 0.30 0.44 0.20 0.05 0.00 0.00 177.00 177.99 3ku4 s GLY 81 N -0.02 2.76 0.50 0.56 0.00 -1.26 -5.14 107.32 104.72 3ku4 s GLY 81 Ca 0.34 -3.61 -0.03 0.00 0.00 0.00 0.00 44.72 41.41 3ku4 s GLY 81 CO 0.19 1.07 0.77 0.00 0.00 0.00 0.00 173.10 175.13 3ku4 s ALA 82 N -0.96 3.50 0.30 3.20 0.00 -0.62 -5.11 121.76 122.07 3ku4 s ALA 82 Ca 0.22 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.51 3ku4 s ALA 82 Cb -0.13 -2.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 3ku4 s ALA 82 CO -0.10 -0.48 -0.15 0.34 0.00 0.00 0.00 175.76 175.37 3ku4 s ASP 83 N -4.20 3.58 -0.59 0.00 2.15 -1.26 -4.92 116.67 111.42 3ku4 s ASP 83 Ca 0.49 -1.10 -0.09 0.00 0.43 0.00 0.00 52.55 52.28 3ku4 s ASP 83 Cb -0.10 -0.31 0.15 0.00 -0.30 0.00 0.00 42.92 42.36 3ku4 s ASP 83 CO 0.42 -0.08 0.47 -0.31 -0.17 0.00 0.00 175.17 175.50 3ku4 s TYR 84 N -2.59 3.49 0.67 -5.34 2.02 -1.26 -5.08 117.35 109.27 3ku4 s TYR 84 Ca 0.31 -2.04 -0.12 0.00 -0.37 0.00 0.00 57.07 54.84 3ku4 s TYR 84 Cb -0.02 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 3ku4 s TYR 84 CO 0.15 -0.96 1.06 -1.25 -1.57 0.00 0.00 175.55 172.98 3ku4 s PRO 85 N 0.80 2.97 0.18 -1.71 0.04 -1.26 -4.96 135.00 131.06 3ku4 s PRO 85 Ca 0.11 1.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 3ku4 s PRO 85 Cb -0.22 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3ku4 s PRO 85 CO -0.03 -1.08 1.39 1.21 0.04 0.00 0.00 177.00 178.53 3ku4 s ASN 86 N -3.43 6.79 -0.02 6.66 2.47 -1.26 -4.62 114.94 121.54 3ku4 s ASN 86 Ca 0.60 2.46 0.22 0.00 0.42 0.00 0.00 52.86 56.56 3ku4 s ASN 86 Cb -0.15 -2.60 -0.32 0.00 -1.45 0.00 0.00 41.25 36.73 3ku4 s ASN 86 CO 0.50 -0.64 0.53 -0.38 -3.72 0.00 0.00 177.10 173.38 3ku4 n ILE 87 N 3.15 0.04 -2.25 -5.21 5.41 0.91 -4.93 119.36 116.46 3ku4 n ILE 87 Ca 0.09 -0.49 -0.35 0.00 1.00 0.00 0.00 62.75 63.00 3ku4 n ILE 87 Cb 0.42 0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 3ku4 n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ku4 n GLU 89 N -1.33 -0.19 0.00 0.00 1.02 -0.07 -4.94 120.64 115.14 3ku4 n GLU 89 Ca 0.11 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3ku4 n GLU 89 Cb 0.51 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 3ku4 n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ku4 n GLY 90 N -0.07 1.11 3.77 0.62 0.00 -0.95 -4.77 105.19 104.90 3ku4 n GLY 90 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3ku4 n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ku4 s THR 91 N 4.07 2.38 -1.31 2.61 -1.32 -0.99 -4.88 115.64 116.20 3ku4 s THR 91 Ca 0.00 0.34 0.21 0.00 -1.21 0.00 0.00 61.69 61.03 3ku4 s THR 91 Cb 0.00 -3.20 0.31 0.00 -1.51 0.00 0.00 72.50 68.10 3ku4 s THR 91 CO 0.00 0.05 1.66 -0.90 -2.21 0.00 0.00 174.62 173.22 3ku4 n ASP 92 N -0.01 0.00 -0.21 8.08 3.85 -1.26 -2.55 116.55 124.45 3ku4 n ASP 92 Ca 0.04 0.13 0.08 0.00 -0.71 0.00 0.00 54.79 54.34 3ku4 n ASP 92 Cb 0.43 -0.35 0.36 0.00 -1.35 0.00 0.00 41.12 40.22 3ku4 n ASP 92 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3ku4 h ARG 93 N 0.00 0.71 -4.89 0.11 3.08 -1.96 -3.40 114.38 108.03 3ku4 h ARG 93 Ca 0.00 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.34 3ku4 h ARG 93 Cb 0.24 -0.16 -0.27 0.00 0.08 0.00 0.00 29.97 29.86 3ku4 h ARG 93 CO 0.00 0.47 -0.67 0.71 -1.07 0.00 0.00 179.97 179.40 3ku4 s TYR 94 N -5.67 3.08 0.21 3.04 4.12 -1.06 -3.84 117.35 117.24 3ku4 s TYR 94 Ca -0.10 -1.05 0.12 0.00 0.02 0.00 0.00 57.07 56.06 3ku4 s TYR 94 Cb 0.20 -2.17 -0.05 0.00 -1.52 0.00 0.00 41.96 38.42 3ku4 s TYR 94 CO 0.78 -0.58 -0.23 0.00 0.02 0.00 0.00 175.55 175.53 3ku4 s ALA 95 N 1.47 2.58 -0.11 3.71 0.00 -1.26 -4.76 121.76 123.39 3ku4 s ALA 95 Ca 0.03 -1.69 -0.05 0.00 0.00 0.00 0.00 51.96 50.25 3ku4 s ALA 95 Cb -0.16 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.69 3ku4 s ALA 95 CO -0.00 0.40 0.26 1.41 0.00 0.00 0.00 175.76 177.83 3ku4 s MET 96 N -2.83 0.21 0.07 0.00 0.00 -1.26 -1.31 119.30 114.18 3ku4 s MET 96 Ca 0.23 0.58 0.06 0.00 0.00 0.00 0.00 55.69 56.56 3ku4 s MET 96 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 34.83 34.63 3ku4 s MET 96 CO 0.11 -0.18 -0.17 -0.06 0.00 0.00 0.00 175.02 174.72 3ku4 s PHE 97 N 1.44 1.43 -0.07 4.11 0.40 0.52 -0.07 117.98 125.75 3ku4 s PHE 97 Ca -0.08 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.81 3ku4 s PHE 97 Cb -0.10 -0.81 0.04 0.00 0.51 0.00 0.00 43.02 42.65 3ku4 s PHE 97 CO -0.09 0.10 0.12 0.21 0.70 0.00 0.00 175.22 176.26 3ku4 s LYS 98 N -1.59 0.01 -0.06 0.44 2.36 -1.26 0.28 119.74 119.93 3ku4 s LYS 98 Ca 0.02 0.45 -0.01 0.00 -2.55 0.00 0.00 55.97 53.88 3ku4 s LYS 98 Cb -0.09 -0.30 0.03 0.00 -1.05 0.00 0.00 37.83 36.41 3ku4 s LYS 98 CO 0.03 -0.27 0.01 0.54 1.55 0.00 0.00 175.35 177.21 3ku4 s VAL 99 N 1.91 0.28 0.00 4.02 0.11 -0.56 -5.00 120.40 121.16 3ku4 s VAL 99 Ca -0.00 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 3ku4 s VAL 99 Cb -0.12 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3ku4 s VAL 99 CO -0.05 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 3ku4 n GLY 100 N 5.01 3.48 0.82 6.54 0.00 -1.26 -1.40 105.19 118.38 3ku4 n GLY 100 Ca -0.09 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3ku4 n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ku4 n PRO 101 N 14.00 2.11 -4.09 1.61 -0.04 -1.26 -4.67 135.00 142.66 3ku4 n PRO 101 Ca 0.00 -1.50 -0.35 0.00 -0.04 0.00 0.00 63.50 61.62 3ku4 n PRO 101 Cb 0.00 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 31.93 3ku4 n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ku4 s VAL 102 N -1.53 3.65 -0.12 0.52 1.01 -0.50 -0.73 120.40 122.71 3ku4 s VAL 102 Ca 0.28 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3ku4 s VAL 102 Cb 0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3ku4 s VAL 102 CO 0.17 0.44 -0.13 -0.22 0.00 0.00 0.00 175.10 175.36 3ku4 s LEU 103 N 1.09 2.74 -0.16 3.92 2.96 0.32 -1.50 118.68 128.05 3ku4 s LEU 103 Ca 0.02 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3ku4 s LEU 103 Cb -0.15 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3ku4 s LEU 103 CO 0.00 0.18 -0.17 -0.55 -1.32 0.00 0.00 176.35 174.49 3ku4 s SER 104 N 0.25 3.43 -0.05 3.68 0.15 0.14 -1.42 113.70 119.89 3ku4 s SER 104 Ca -0.09 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.03 3ku4 s SER 104 Cb -0.15 -1.53 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 3ku4 s SER 104 CO 0.05 0.05 -0.05 -0.69 1.20 0.00 0.00 173.24 173.80 3ku4 s VAL 105 N 1.00 0.61 0.25 4.45 1.01 -0.41 -0.36 120.40 126.96 3ku4 s VAL 105 Ca -0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 3ku4 s VAL 105 Cb -0.15 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 3ku4 s VAL 105 CO -0.04 0.25 0.80 -0.94 0.00 0.00 0.00 175.10 175.17 3ku4 s SER 106 N 0.99 7.16 0.00 3.32 1.04 -0.42 -2.08 113.70 123.71 3ku4 s SER 106 Ca -0.10 1.57 0.01 0.00 0.48 0.00 0.00 55.95 57.91 3ku4 s SER 106 Cb -0.14 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.51 3ku4 s SER 106 CO -0.00 0.00 0.47 0.00 0.98 0.00 0.00 173.24 174.69 3ku4 n HIS 107 N 0.69 0.00 -2.63 5.02 1.44 0.21 -4.05 115.22 115.90 3ku4 n HIS 107 Ca -0.01 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 3ku4 n HIS 107 Cb 0.51 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.61 3ku4 n HIS 107 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ku4 n GLY 108 N 0.23 -1.83 3.72 -1.39 0.00 0.07 -3.14 105.19 102.86 3ku4 n GLY 108 Ca 0.01 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 3ku4 n GLY 108 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ku4 s MET 109 N -0.75 4.21 0.00 1.61 1.75 -1.26 -4.64 119.30 120.22 3ku4 s MET 109 Ca 0.00 -0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.35 3ku4 s MET 109 Cb 0.00 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.24 3ku4 s MET 109 CO 0.00 0.26 0.00 0.41 -0.65 0.00 0.00 175.02 175.04 3ku4 n GLY 110 N 3.51 1.77 0.33 2.11 0.00 -1.26 -4.37 105.19 107.28 3ku4 n GLY 110 Ca -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 3ku4 n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ku4 h VAL 111 N 0.00 0.18 -0.61 1.61 2.07 -1.87 -1.50 116.25 116.12 3ku4 h VAL 111 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3ku4 h VAL 111 Cb 0.00 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 3ku4 h VAL 111 CO 0.00 0.00 0.40 -0.65 0.02 0.00 0.00 177.57 177.34 3ku4 h PRO 112 N -0.08 0.78 -0.30 1.57 0.11 -1.94 0.36 132.00 132.50 3ku4 h PRO 112 Ca 0.30 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 3ku4 h PRO 112 Cb 0.56 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3ku4 h PRO 112 CO -0.76 0.52 0.09 1.03 -0.21 0.00 0.00 178.00 178.67 3ku4 h SER 113 N 0.81 0.44 0.10 -2.05 0.87 -1.58 -2.88 113.55 109.25 3ku4 h SER 113 Ca 0.23 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 3ku4 h SER 113 Cb -0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3ku4 h SER 113 CO -0.06 0.53 -0.52 -0.29 -0.53 0.00 0.00 176.83 175.96 3ku4 h ILE 114 N 0.33 1.33 -0.80 2.23 2.10 -1.18 -2.77 117.51 118.74 3ku4 h ILE 114 Ca 0.10 -1.77 0.06 0.00 1.08 0.00 0.00 64.86 64.33 3ku4 h ILE 114 Cb 0.25 1.77 -0.06 0.00 -1.09 0.00 0.00 36.82 37.69 3ku4 h ILE 114 CO -0.00 0.54 0.48 0.00 -1.08 0.00 0.00 178.15 178.09 3ku4 h ALA 115 N 1.07 1.09 -0.18 0.18 0.00 -0.90 -0.36 119.26 120.16 3ku4 h ALA 115 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ku4 h ALA 115 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ku4 h ALA 115 CO 0.09 0.20 0.10 0.82 0.00 0.00 0.00 179.25 180.47 3ku4 h ILE 116 N 0.88 1.10 -0.75 0.00 1.08 -1.39 -1.47 117.51 116.95 3ku4 h ILE 116 Ca 0.35 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 3ku4 h ILE 116 Cb 0.18 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 3ku4 h ILE 116 CO -0.18 0.09 0.47 -0.03 -0.69 0.00 0.00 178.15 177.81 3ku4 h MET 117 N 0.20 0.89 -0.48 2.37 4.05 -1.17 -2.53 114.93 118.25 3ku4 h MET 117 Ca 0.06 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 3ku4 h MET 117 Cb 0.06 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3ku4 h MET 117 CO -0.01 0.59 -0.07 -0.07 0.23 0.00 0.00 176.91 177.58 3ku4 h LEU 118 N 0.91 0.90 -0.45 3.39 3.38 -0.72 0.17 115.31 122.89 3ku4 h LEU 118 Ca 0.30 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3ku4 h LEU 118 Cb 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3ku4 h LEU 118 CO -0.11 1.03 0.13 0.45 0.09 0.00 0.00 178.44 180.02 3ku4 h HIS 119 N 0.75 0.22 0.03 1.13 3.86 -1.09 -1.02 115.15 119.04 3ku4 h HIS 119 Ca 0.13 0.02 -0.22 0.00 -1.16 0.00 0.00 60.37 59.14 3ku4 h HIS 119 Cb 0.61 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 3ku4 h HIS 119 CO 0.05 0.06 -0.99 0.93 0.86 0.00 0.00 177.93 178.84 3ku4 h GLU 120 N 0.28 0.17 -0.34 2.45 5.08 -1.21 -2.79 114.58 118.23 3ku4 h GLU 120 Ca 0.21 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 3ku4 h GLU 120 Cb 0.24 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ku4 h GLU 120 CO -0.24 1.02 -0.35 1.25 -1.00 0.00 0.00 179.01 179.68 3ku4 h LEU 121 N 0.07 0.89 -0.79 1.33 5.85 -0.58 -1.38 115.31 120.70 3ku4 h LEU 121 Ca -0.06 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 3ku4 h LEU 121 Cb 1.67 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3ku4 h LEU 121 CO 0.15 1.18 -0.09 0.40 -0.34 0.00 0.00 178.44 179.74 3ku4 h ILE 122 N 0.62 1.26 -0.56 4.05 2.04 -1.21 -1.65 117.51 122.05 3ku4 h ILE 122 Ca 0.05 -1.16 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 3ku4 h ILE 122 Cb 0.94 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3ku4 h ILE 122 CO 0.09 0.40 -0.08 0.11 0.00 0.00 0.00 178.15 178.67 3ku4 h LYS 123 N 0.75 1.03 -0.43 2.37 1.57 -1.44 -1.58 116.57 118.83 3ku4 h LYS 123 Ca 0.13 -0.36 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3ku4 h LYS 123 Cb 0.58 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 3ku4 h LYS 123 CO 0.04 1.05 0.08 1.25 -0.57 0.00 0.00 179.45 181.30 3ku4 h LEU 124 N 0.92 -0.02 -0.59 2.94 6.46 -0.83 0.10 115.31 124.30 3ku4 h LEU 124 Ca 0.15 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.88 3ku4 h LEU 124 Cb 0.64 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 3ku4 h LEU 124 CO 0.04 0.03 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.74 3ku4 h LEU 125 N 0.21 1.04 0.02 2.25 3.38 -1.15 -0.88 115.31 120.17 3ku4 h LEU 125 Ca 0.21 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ku4 h LEU 125 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ku4 h LEU 125 CO -0.29 1.13 -0.09 0.22 0.09 0.00 0.00 178.44 179.50 3ku4 h TYR 126 N 0.93 -0.23 0.00 1.13 5.03 -0.80 -1.76 116.97 121.28 3ku4 h TYR 126 Ca 0.15 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.42 3ku4 h TYR 126 Cb 0.64 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 3ku4 h TYR 126 CO 0.04 -0.14 -0.24 0.45 -1.32 0.00 0.00 178.16 176.96 3ku4 h HIS 127 N -0.17 0.00 -0.00 -3.82 3.86 -0.52 -0.71 115.15 113.79 3ku4 h HIS 127 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3ku4 h HIS 127 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3ku4 h HIS 127 CO -0.14 0.24 -0.03 0.00 0.86 0.00 0.00 177.93 178.86 3ku4 n ALA 128 N -2.45 2.45 -3.38 2.45 0.00 -0.36 -4.08 120.51 115.15 3ku4 n ALA 128 Ca -0.02 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 3ku4 n ALA 128 Cb 0.30 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.35 3ku4 n ALA 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ku4 n HIS 129 N -1.41 -2.49 -1.52 0.00 -0.00 -0.27 -4.21 115.22 105.32 3ku4 n HIS 129 Ca 0.10 0.81 -0.35 0.00 -0.00 0.00 0.00 57.72 58.28 3ku4 n HIS 129 Cb 0.30 -4.76 0.08 0.00 -0.00 0.00 0.00 29.99 25.62 3ku4 n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ku4 s SER 131 N -1.96 0.05 -1.32 0.00 1.04 -1.26 -1.65 113.70 108.59 3ku4 s SER 131 Ca 0.75 -0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.79 3ku4 s SER 131 Cb -0.30 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.08 3ku4 s SER 131 CO 0.44 -0.47 1.07 0.61 0.98 0.00 0.00 173.24 175.87 3ku4 n GLY 132 N 1.04 -0.48 3.84 7.32 0.00 -0.75 -4.81 105.19 111.34 3ku4 n GLY 132 Ca -0.21 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ku4 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ku4 s VAL 133 N -3.29 4.62 -0.10 1.61 1.01 -1.26 -4.84 120.40 118.15 3ku4 s VAL 133 Ca 0.53 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.64 3ku4 s VAL 133 Cb -0.23 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3ku4 s VAL 133 CO 0.66 -0.08 -0.23 -0.89 0.00 0.00 0.00 175.10 174.56 3ku4 s THR 134 N -1.86 1.99 -0.16 3.92 2.01 0.29 -4.43 115.64 117.40 3ku4 s THR 134 Ca 0.51 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 3ku4 s THR 134 Cb -0.12 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3ku4 s THR 134 CO 0.18 0.54 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.84 3ku4 s LEU 135 N 0.38 3.11 -0.04 4.42 1.02 -0.43 -0.49 118.68 126.65 3ku4 s LEU 135 Ca -0.18 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 53.76 3ku4 s LEU 135 Cb -0.18 -1.75 0.03 0.00 0.02 0.00 0.00 46.19 44.31 3ku4 s LEU 135 CO 0.08 0.13 -0.01 -0.63 0.02 0.00 0.00 176.35 175.94 3ku4 s ILE 136 N 0.57 0.33 -0.09 -0.59 1.01 0.60 -0.83 121.20 122.21 3ku4 s ILE 136 Ca -0.04 0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 3ku4 s ILE 136 Cb -0.15 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 3ku4 s ILE 136 CO 0.03 0.19 0.37 -0.60 0.00 0.00 0.00 174.94 174.93 3ku4 s ARG 137 N 1.16 4.10 0.10 2.79 3.52 -0.08 -0.50 118.95 130.04 3ku4 s ARG 137 Ca -0.08 0.28 0.10 0.00 -0.13 0.00 0.00 55.73 55.90 3ku4 s ARG 137 Cb -0.14 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3ku4 s ARG 137 CO -0.02 0.42 -0.26 0.96 -0.81 0.00 0.00 175.30 175.60 3ku4 s ILE 138 N -0.15 2.11 -0.02 4.11 -4.36 -0.02 -0.53 121.20 122.34 3ku4 s ILE 138 Ca 0.21 -1.59 -0.07 0.00 -0.26 0.00 0.00 60.65 58.94 3ku4 s ILE 138 Cb -0.15 -1.85 0.02 0.00 1.25 0.00 0.00 42.46 41.73 3ku4 s ILE 138 CO 0.09 0.15 0.31 0.61 0.24 0.00 0.00 174.94 176.34 3ku4 n GLY 139 N 1.23 0.38 3.93 6.27 0.00 -1.10 -4.39 105.19 111.53 3ku4 n GLY 139 Ca -0.18 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3ku4 n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ku4 s THR 140 N -2.04 2.31 0.03 2.61 -4.23 -1.26 -1.34 115.64 111.72 3ku4 s THR 140 Ca 0.07 -1.27 -0.28 0.00 -1.18 0.00 0.00 61.69 59.03 3ku4 s THR 140 Cb -0.00 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 71.35 3ku4 s THR 140 CO -0.01 0.00 1.02 -0.94 -0.54 0.00 0.00 174.62 174.15 3ku4 s SER 141 N -4.31 -0.22 -0.11 3.99 1.04 0.02 -4.79 113.70 109.32 3ku4 s SER 141 Ca 0.48 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.53 3ku4 s SER 141 Cb -0.04 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3ku4 s SER 141 CO 0.29 -0.63 0.58 -0.83 0.98 0.00 0.00 173.24 173.63 3ku4 s GLY 142 N -2.69 2.44 0.35 7.32 0.00 -0.75 -1.60 107.32 112.38 3ku4 s GLY 142 Ca 0.10 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.63 3ku4 s GLY 142 CO -0.03 1.00 0.71 -0.32 0.00 0.00 0.00 173.10 174.45 3ku4 s GLY 143 N 0.76 2.08 -0.21 0.20 0.00 -0.34 -0.25 107.32 109.56 3ku4 s GLY 143 Ca 0.31 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.85 3ku4 s GLY 143 CO 0.13 -0.01 -0.08 -0.42 0.00 0.00 0.00 173.10 172.73 3ku4 s ILE 144 N -2.16 1.56 -0.57 0.90 1.01 0.70 -1.83 121.20 120.80 3ku4 s ILE 144 Ca 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3ku4 s ILE 144 Cb -0.10 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ku4 s ILE 144 CO 0.26 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3ku4 n GLY 145 N 4.69 0.72 3.22 6.18 0.00 -1.26 -4.59 105.19 114.14 3ku4 n GLY 145 Ca -0.13 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 3ku4 n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ku4 s LEU 146 N -1.31 2.27 0.42 0.99 1.43 -1.26 -5.12 118.68 116.10 3ku4 s LEU 146 Ca 0.00 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.22 3ku4 s LEU 146 Cb 0.00 -0.69 -0.09 0.00 0.03 0.00 0.00 46.19 45.44 3ku4 s LEU 146 CO 0.00 -0.00 1.36 -1.83 0.23 0.00 0.00 176.35 176.11 3ku4 s GLU 147 N -1.71 3.86 0.43 1.70 -1.05 -1.26 -4.31 118.70 116.37 3ku4 s GLU 147 Ca 0.02 2.28 -0.24 0.00 -0.15 0.00 0.00 54.97 56.88 3ku4 s GLU 147 Cb -0.10 -2.73 -0.10 0.00 -0.44 0.00 0.00 34.13 30.77 3ku4 s GLU 147 CO 0.03 -0.62 1.13 -2.30 0.95 0.00 0.00 175.26 174.44 3ku4 n PRO 148 N 0.02 1.58 -0.15 -4.83 -0.02 -1.26 -2.45 135.00 127.88 3ku4 n PRO 148 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3ku4 n PRO 148 Cb 0.43 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3ku4 n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ku4 n GLY 149 N 1.02 0.86 3.77 -1.23 0.00 -0.05 -4.99 105.19 104.58 3ku4 n GLY 149 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3ku4 n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ku4 s SER 150 N -2.82 6.32 -0.14 1.61 0.01 -1.02 -4.69 113.70 112.97 3ku4 s SER 150 Ca 0.00 2.29 -0.06 0.00 1.31 0.00 0.00 55.95 59.49 3ku4 s SER 150 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3ku4 s SER 150 CO 0.00 -0.81 0.06 -0.69 0.41 0.00 0.00 173.24 172.21 3ku4 s VAL 151 N -1.53 4.77 -0.24 3.43 1.01 -0.06 -0.73 120.40 127.05 3ku4 s VAL 151 Ca 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3ku4 s VAL 151 Cb -0.28 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.02 3ku4 s VAL 151 CO 0.35 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 175.26 3ku4 s VAL 152 N -0.29 3.16 -0.33 2.92 1.01 0.44 -0.90 120.40 126.41 3ku4 s VAL 152 Ca 0.08 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3ku4 s VAL 152 Cb -0.12 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 3ku4 s VAL 152 CO 0.02 0.27 0.64 -0.63 0.00 0.00 0.00 175.10 175.40 3ku4 s ILE 153 N 1.40 4.91 -0.30 2.22 1.01 -0.36 -2.61 121.20 127.48 3ku4 s ILE 153 Ca 0.03 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 3ku4 s ILE 153 Cb -0.16 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 3ku4 s ILE 153 CO -0.03 -0.22 1.47 -0.89 0.00 0.00 0.00 174.94 175.27 3ku4 s THR 154 N 2.67 3.89 -0.01 2.92 2.01 -0.25 -2.43 115.64 124.43 3ku4 s THR 154 Ca 0.25 0.98 -0.24 0.00 0.31 0.00 0.00 61.69 63.00 3ku4 s THR 154 Cb -0.15 -3.97 -0.16 0.00 0.01 0.00 0.00 72.50 68.22 3ku4 s THR 154 CO 0.13 -0.46 1.12 -0.09 -0.69 0.00 0.00 174.62 174.62 3ku4 h ARG 155 N 10.31 -0.30 -4.61 4.92 2.43 -1.58 -3.42 114.38 122.14 3ku4 h ARG 155 Ca -0.30 0.02 -0.50 0.00 -0.81 0.00 0.00 59.98 58.40 3ku4 h ARG 155 Cb 1.12 0.07 -0.33 0.00 -0.42 0.00 0.00 29.97 30.41 3ku4 h ARG 155 CO 1.03 0.06 -0.81 -0.65 -1.51 0.00 0.00 179.97 178.10 3ku4 s GLN 156 N -4.22 1.51 0.36 0.20 -0.21 -1.26 -1.58 119.66 114.46 3ku4 s GLN 156 Ca -0.14 -0.39 -0.25 0.00 0.02 0.00 0.00 55.36 54.60 3ku4 s GLN 156 Cb 0.02 -1.29 -0.10 0.00 1.00 0.00 0.00 33.01 32.64 3ku4 s GLN 156 CO 0.53 0.06 0.98 0.00 -2.12 0.00 0.00 175.29 174.74 3ku4 s ALA 157 N 0.52 3.15 0.00 6.09 0.00 -0.84 -1.58 121.76 129.10 3ku4 s ALA 157 Ca -0.11 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 3ku4 s ALA 157 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3ku4 s ALA 157 CO 0.03 0.05 0.04 0.54 0.00 0.00 0.00 175.76 176.42 3ku4 s VAL 158 N -1.72 0.06 0.89 0.00 0.11 0.11 -4.40 120.40 115.46 3ku4 s VAL 158 Ca 0.54 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 3ku4 s VAL 158 Cb -0.18 -0.24 0.17 0.00 -1.53 0.00 0.00 36.38 34.60 3ku4 s VAL 158 CO 0.23 -0.29 1.24 1.51 -3.33 0.00 0.00 175.10 174.46 3ku4 s ASP 159 N -0.91 3.52 0.03 3.54 3.84 0.05 -0.75 116.67 125.99 3ku4 s ASP 159 Ca -0.10 0.19 0.05 0.00 -0.00 0.00 0.00 52.55 52.69 3ku4 s ASP 159 Cb -0.06 -0.35 0.24 0.00 -1.38 0.00 0.00 42.92 41.37 3ku4 s ASP 159 CO -0.00 -2.46 1.16 -2.65 -0.00 0.00 0.00 175.17 171.22 3ku4 n PRO 160 N -3.52 0.02 -0.44 2.11 -0.02 -1.26 0.09 135.00 131.97 3ku4 n PRO 160 Ca 0.14 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3ku4 n PRO 160 Cb 0.60 -1.55 0.32 0.00 -0.02 0.00 0.00 33.50 32.85 3ku4 n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ku4 n PHE 162 N 1.32 0.00 -3.58 0.00 0.99 0.11 -5.02 117.46 111.28 3ku4 n PHE 162 Ca 0.24 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.31 3ku4 n PHE 162 Cb 0.71 -0.66 -0.06 0.00 -1.00 0.00 0.00 39.48 38.47 3ku4 n PHE 162 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3ku4 s LYS 163 N -1.07 3.82 -1.58 -1.08 1.02 -1.26 -4.73 119.74 114.86 3ku4 s LYS 163 Ca 0.00 0.30 -0.10 0.00 0.02 0.00 0.00 55.97 56.19 3ku4 s LYS 163 Cb 0.00 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 3ku4 s LYS 163 CO 0.00 0.71 2.90 -0.35 -0.92 0.00 0.00 175.35 177.69 3ku4 n PRO 164 N 1.84 3.59 -4.31 -1.68 -0.05 -1.26 -0.77 135.00 132.37 3ku4 n PRO 164 Ca -0.15 -2.17 -0.18 0.00 -0.05 0.00 0.00 63.50 60.95 3ku4 n PRO 164 Cb 0.53 -2.80 -0.15 0.00 -0.05 0.00 0.00 33.50 31.04 3ku4 n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3ku4 s GLU 165 N 2.27 0.66 -0.18 0.54 2.02 -1.26 -2.11 118.70 120.64 3ku4 s GLU 165 Ca 0.68 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 55.35 3ku4 s GLU 165 Cb 0.17 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.77 3ku4 s GLU 165 CO -0.06 0.17 -0.13 0.12 0.02 0.00 0.00 175.26 175.38 3ku4 s PHE 166 N -0.24 2.83 -0.17 1.61 2.19 0.11 -4.38 117.98 119.94 3ku4 s PHE 166 Ca 0.03 -1.16 -0.07 0.00 0.33 0.00 0.00 56.93 56.06 3ku4 s PHE 166 Cb -0.03 -1.95 -0.04 0.00 -1.31 0.00 0.00 43.02 39.68 3ku4 s PHE 166 CO -0.00 -0.57 0.07 -2.00 1.83 0.00 0.00 175.22 174.55 3ku4 s GLU 167 N 1.10 3.88 0.02 10.12 2.12 -1.26 -0.33 118.70 134.36 3ku4 s GLU 167 Ca 0.00 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.05 3ku4 s GLU 167 Cb -0.14 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 3ku4 s GLU 167 CO -0.04 0.36 -0.09 -1.14 -0.54 0.00 0.00 175.26 173.80 3ku4 s GLN 168 N 0.14 0.67 -0.30 4.30 0.74 0.99 -4.96 119.66 121.24 3ku4 s GLN 168 Ca 0.05 -0.55 -0.15 0.00 0.05 0.00 0.00 55.36 54.76 3ku4 s GLN 168 Cb -0.12 -0.60 -0.03 0.00 1.10 0.00 0.00 33.01 33.36 3ku4 s GLN 168 CO 0.00 0.15 0.38 0.42 -0.55 0.00 0.00 175.29 175.70 3ku4 s ILE 169 N -0.71 5.15 -0.20 -2.34 1.09 -1.26 0.46 121.20 123.39 3ku4 s ILE 169 Ca -0.01 0.39 0.01 0.00 -1.10 0.00 0.00 60.65 59.94 3ku4 s ILE 169 Cb -0.06 -3.76 0.04 0.00 -1.06 0.00 0.00 42.46 37.61 3ku4 s ILE 169 CO 0.00 0.04 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.05 3ku4 s VAL 170 N 2.09 1.94 -1.73 2.92 1.01 0.24 -4.69 120.40 122.19 3ku4 s VAL 170 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3ku4 s VAL 170 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3ku4 s VAL 170 CO 0.11 0.30 0.00 0.18 0.00 0.00 0.00 175.10 175.69 3ku4 n LEU 171 N 4.60 -1.77 0.00 3.92 4.77 -1.26 -0.42 117.00 126.84 3ku4 n LEU 171 Ca -0.17 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3ku4 n LEU 171 Cb 0.47 -2.73 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 3ku4 n LEU 171 CO 0.23 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 3ku4 n GLY 172 N -0.93 0.78 3.51 -0.72 0.00 -1.26 -5.04 105.19 101.54 3ku4 n GLY 172 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3ku4 n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ku4 s LYS 173 N -0.50 3.71 0.05 1.61 -0.14 0.44 -5.08 119.74 119.84 3ku4 s LYS 173 Ca 0.00 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 3ku4 s LYS 173 Cb 0.00 -2.98 -0.05 0.00 -1.68 0.00 0.00 37.83 33.11 3ku4 s LYS 173 CO 0.00 0.21 1.20 1.03 -0.76 0.00 0.00 175.35 177.04 3ku4 s ARG 174 N 0.45 4.42 0.06 1.68 0.52 -1.26 0.81 118.95 125.63 3ku4 s ARG 174 Ca -0.02 1.76 0.08 0.00 -0.52 0.00 0.00 55.73 57.03 3ku4 s ARG 174 Cb -0.14 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 3ku4 s ARG 174 CO 0.02 -0.29 -0.22 -1.21 0.02 0.00 0.00 175.30 173.63 3ku4 s GLU 175 N 1.22 1.42 -0.06 3.54 2.02 0.17 -4.92 118.70 122.09 3ku4 s GLU 175 Ca 0.59 -1.04 0.05 0.00 0.02 0.00 0.00 54.97 54.59 3ku4 s GLU 175 Cb -0.29 -1.60 -0.00 0.00 0.10 0.00 0.00 34.13 32.33 3ku4 s GLU 175 CO 0.28 0.40 -0.22 0.08 0.02 0.00 0.00 175.26 175.83 3ku4 s VAL 176 N -0.88 1.80 -0.00 2.63 1.01 -1.26 -0.01 120.40 123.69 3ku4 s VAL 176 Ca 0.09 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3ku4 s VAL 176 Cb -0.09 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3ku4 s VAL 176 CO 0.03 0.51 -0.18 -0.13 0.00 0.00 0.00 175.10 175.32 3ku4 s ARG 177 N 0.04 1.38 0.37 2.72 0.52 0.56 -4.93 118.95 119.60 3ku4 s ARG 177 Ca -0.07 -0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 54.19 3ku4 s ARG 177 Cb -0.14 -1.36 -0.09 0.00 0.52 0.00 0.00 34.95 33.88 3ku4 s ARG 177 CO 0.04 0.37 1.26 1.21 0.02 0.00 0.00 175.30 178.20 3ku4 s ASN 178 N -0.57 6.59 -0.23 0.23 2.47 -1.26 0.08 114.94 122.25 3ku4 s ASN 178 Ca 0.06 2.58 0.10 0.00 0.42 0.00 0.00 52.86 56.03 3ku4 s ASN 178 Cb -0.07 -2.64 0.43 0.00 -1.45 0.00 0.00 41.25 37.53 3ku4 s ASN 178 CO -0.00 -0.65 1.26 0.35 -3.72 0.00 0.00 177.10 174.33 3ku4 n THR 179 N 0.44 2.28 -2.05 -5.21 -2.24 -0.90 -4.11 114.28 102.48 3ku4 n THR 179 Ca 0.02 -3.21 -0.39 0.00 -2.27 0.00 0.00 64.05 58.20 3ku4 n THR 179 Cb 0.44 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3ku4 n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ku4 s ASP 180 N -3.15 6.31 0.37 3.42 1.01 -1.26 -1.99 116.67 121.38 3ku4 s ASP 180 Ca 0.40 2.65 0.03 0.00 0.71 0.00 0.00 52.55 56.34 3ku4 s ASP 180 Cb 0.38 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 3ku4 s ASP 180 CO -0.06 -0.85 0.54 -0.76 0.21 0.00 0.00 175.17 174.26 3ku4 s LEU 181 N -2.43 3.91 -0.10 1.23 1.43 -0.61 -4.90 118.68 117.21 3ku4 s LEU 181 Ca 0.57 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 3ku4 s LEU 181 Cb -0.38 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 3ku4 s LEU 181 CO 0.49 -0.45 2.11 -0.62 0.23 0.00 0.00 176.35 178.10 3ku4 s ASP 182 N -4.14 5.91 0.18 2.29 -1.08 -1.13 -4.89 116.67 113.81 3ku4 s ASP 182 Ca 0.44 2.27 -0.11 0.00 -0.52 0.00 0.00 52.55 54.63 3ku4 s ASP 182 Cb -0.10 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 38.93 3ku4 s ASP 182 CO 0.34 -1.54 1.72 -0.08 0.52 0.00 0.00 175.17 176.13 3ku4 h GLU 183 N 13.00 0.96 -0.00 4.34 4.57 -1.92 -1.53 114.58 134.00 3ku4 h GLU 183 Ca -0.45 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 57.45 3ku4 h GLU 183 Cb 1.24 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3ku4 h GLU 183 CO 0.95 0.83 -0.38 -0.56 -1.18 0.00 0.00 179.01 178.67 3ku4 h GLN 184 N 0.89 0.00 -0.44 1.92 -0.00 -2.00 -2.71 115.11 112.76 3ku4 h GLN 184 Ca 0.20 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.78 3ku4 h GLN 184 Cb 0.26 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.72 3ku4 h GLN 184 CO -0.01 0.39 0.01 1.25 -0.00 0.00 0.00 178.83 180.46 3ku4 h LEU 185 N 0.00 0.76 -1.23 0.06 6.46 -1.77 -1.75 115.31 117.85 3ku4 h LEU 185 Ca -0.00 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.41 3ku4 h LEU 185 Cb 0.68 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3ku4 h LEU 185 CO 0.05 0.88 0.08 -0.37 -0.62 0.00 0.00 178.44 178.46 3ku4 h VAL 186 N 0.63 1.19 -0.31 1.05 -1.51 -1.00 -1.72 116.25 114.58 3ku4 h VAL 186 Ca 0.13 -0.70 -0.16 0.00 -1.23 0.00 0.00 66.70 64.74 3ku4 h VAL 186 Cb 0.48 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 3ku4 h VAL 186 CO 0.02 0.25 -0.45 1.56 -1.23 0.00 0.00 177.57 177.72 3ku4 h GLN 187 N 0.60 0.80 -0.76 5.19 1.08 -1.30 -1.04 115.11 119.68 3ku4 h GLN 187 Ca 0.14 -0.45 -0.05 0.00 -1.45 0.00 0.00 58.65 56.83 3ku4 h GLN 187 Cb 0.25 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 3ku4 h GLN 187 CO -0.00 1.08 0.26 1.49 -0.95 0.00 0.00 178.83 180.71 3ku4 h GLU 188 N 0.64 1.16 -0.55 1.46 4.81 -1.02 -0.31 114.58 120.77 3ku4 h GLU 188 Ca 0.04 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.93 3ku4 h GLU 188 Cb 1.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3ku4 h GLU 188 CO 0.10 0.97 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.22 3ku4 h LEU 189 N 1.12 0.99 -0.68 1.64 4.07 -1.21 -0.25 115.31 120.98 3ku4 h LEU 189 Ca 0.25 -0.33 0.02 0.00 0.08 0.00 0.00 57.88 57.90 3ku4 h LEU 189 Cb 0.28 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 3ku4 h LEU 189 CO -0.01 1.09 0.44 0.00 -1.08 0.00 0.00 178.44 178.88 3ku4 h ALA 190 N 0.94 0.88 -0.66 1.53 0.00 -0.84 -0.84 119.26 120.27 3ku4 h ALA 190 Ca 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ku4 h ALA 190 Cb 0.61 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ku4 h ALA 190 CO 0.04 0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.63 3ku4 h ARG 191 N 0.87 1.09 -0.78 0.00 3.08 -0.83 -1.91 114.38 115.90 3ku4 h ARG 191 Ca 0.27 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3ku4 h ARG 191 Cb -0.03 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3ku4 h ARG 191 CO -0.09 1.00 0.38 0.00 -1.07 0.00 0.00 179.97 180.19 3ku4 h SER 193 N 1.10 0.84 -0.25 0.00 0.87 -0.85 -2.59 113.55 112.66 3ku4 h SER 193 Ca 0.27 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3ku4 h SER 193 Cb 0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3ku4 h SER 193 CO -0.04 1.08 0.05 0.00 -0.53 0.00 0.00 176.83 177.39 3ku4 h ALA 194 N 0.97 1.45 -0.85 6.23 0.00 -1.07 -1.73 119.26 124.26 3ku4 h ALA 194 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ku4 h ALA 194 Cb 0.85 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3ku4 h ALA 194 CO 0.07 0.40 0.41 0.93 0.00 0.00 0.00 179.25 181.06 3ku4 h GLU 195 N 0.50 1.22 -0.27 0.00 5.08 -0.96 -3.03 114.58 117.11 3ku4 h GLU 195 Ca 0.11 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3ku4 h GLU 195 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3ku4 h GLU 195 CO 0.00 0.94 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.80 3ku4 h LEU 196 N 1.21 0.54 0.21 1.33 3.38 -0.98 -3.47 115.31 117.54 3ku4 h LEU 196 Ca 0.29 -0.38 -0.34 0.00 0.09 0.00 0.00 57.88 57.54 3ku4 h LEU 196 Cb 0.12 -0.15 0.08 0.00 0.09 0.00 0.00 40.66 40.80 3ku4 h LEU 196 CO -0.04 0.79 -0.54 0.61 0.09 0.00 0.00 178.44 179.36 3ku4 n GLY 197 N -0.13 -0.33 0.06 0.83 0.00 -0.89 -4.93 105.19 99.79 3ku4 n GLY 197 Ca -0.03 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3ku4 n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ku4 n GLU 198 N -3.81 1.99 -3.52 1.61 1.02 -1.26 -5.07 120.64 111.60 3ku4 n GLU 198 Ca -0.06 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 3ku4 n GLU 198 Cb 0.59 -1.31 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 3ku4 n GLU 198 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3ku4 s PHE 199 N -2.30 -0.49 0.11 -0.32 -0.71 -1.26 -5.13 117.98 107.87 3ku4 s PHE 199 Ca -0.06 0.50 -0.31 0.00 -1.04 0.00 0.00 56.93 56.03 3ku4 s PHE 199 Cb 0.04 0.42 -0.07 0.00 -1.21 0.00 0.00 43.02 42.20 3ku4 s PHE 199 CO 0.50 -0.71 1.28 -2.14 -1.34 0.00 0.00 175.22 172.80 3ku4 s PRO 200 N -2.75 4.40 -0.08 1.99 0.02 -1.26 -4.91 135.00 132.40 3ku4 s PRO 200 Ca -0.04 1.92 0.01 0.00 0.02 0.00 0.00 61.00 62.92 3ku4 s PRO 200 Cb -0.00 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.26 3ku4 s PRO 200 CO -0.04 -0.30 -0.08 0.99 -0.33 0.00 0.00 177.00 177.24 3ku4 s THR 201 N 0.81 0.89 0.09 0.99 2.01 -1.26 -0.88 115.64 118.29 3ku4 s THR 201 Ca 0.60 -0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.41 3ku4 s THR 201 Cb -0.33 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3ku4 s THR 201 CO 0.32 0.32 -0.23 0.68 -0.69 0.00 0.00 174.62 175.01 3ku4 s VAL 202 N 1.16 1.92 -0.14 3.82 -7.23 -0.08 -4.97 120.40 114.88 3ku4 s VAL 202 Ca -0.06 -1.51 -0.15 0.00 -1.81 0.00 0.00 61.98 58.45 3ku4 s VAL 202 Cb -0.14 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 3ku4 s VAL 202 CO -0.02 0.10 0.36 0.68 -0.31 0.00 0.00 175.10 175.91 3ku4 s VAL 203 N -1.00 5.26 0.39 1.32 -7.23 -1.26 -1.22 120.40 116.65 3ku4 s VAL 203 Ca 0.10 0.69 -0.16 0.00 -1.81 0.00 0.00 61.98 60.80 3ku4 s VAL 203 Cb -0.10 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.21 3ku4 s VAL 203 CO 0.04 0.37 0.80 -0.83 -0.31 0.00 0.00 175.10 175.18 3ku4 s GLY 204 N 0.47 0.39 0.34 2.32 0.00 -1.02 -4.95 107.32 104.87 3ku4 s GLY 204 Ca 0.20 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 3ku4 s GLY 204 CO 0.06 -0.22 0.70 -1.31 0.00 0.00 0.00 173.10 172.33 3ku4 s ASN 205 N -3.09 6.60 -0.17 1.64 0.01 -0.32 -1.38 114.94 118.23 3ku4 s ASN 205 Ca 0.16 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.40 3ku4 s ASN 205 Cb -0.05 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.33 3ku4 s ASN 205 CO 0.11 -0.27 -0.19 -0.89 -1.51 0.00 0.00 177.10 174.36 3ku4 s THR 206 N -2.14 1.98 -0.14 1.60 2.01 -0.61 -1.25 115.64 117.08 3ku4 s THR 206 Ca 0.50 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 3ku4 s THR 206 Cb -0.10 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 3ku4 s THR 206 CO 0.26 0.53 0.82 -0.32 -0.69 0.00 0.00 174.62 175.21 3ku4 s MET 207 N 1.25 4.34 -0.23 4.92 1.75 0.13 -0.71 119.30 130.74 3ku4 s MET 207 Ca 0.03 1.02 -0.09 0.00 -1.25 0.00 0.00 55.69 55.40 3ku4 s MET 207 Cb -0.13 -3.55 -0.04 0.00 2.84 0.00 0.00 34.83 33.95 3ku4 s MET 207 CO -0.11 -0.25 0.11 0.00 -0.65 0.00 0.00 175.02 174.12 3ku4 s THR 209 N 1.04 2.99 0.14 0.00 -4.23 -0.39 -4.05 115.64 111.15 3ku4 s THR 209 Ca 0.06 -0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 59.66 3ku4 s THR 209 Cb -0.14 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 3ku4 s THR 209 CO 0.04 0.58 1.76 0.25 -0.54 0.00 0.00 174.62 176.71 3ku4 h LEU 210 N 5.53 0.44 -9.49 4.79 6.46 -1.89 -3.40 115.31 117.75 3ku4 h LEU 210 Ca -0.43 -0.07 -0.64 0.00 -0.12 0.00 0.00 57.88 56.61 3ku4 h LEU 210 Cb 1.16 -0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.86 3ku4 h LEU 210 CO 0.51 0.38 -0.66 -0.62 -0.62 0.00 0.00 178.44 177.43 3ku4 s ASP 211 N -5.62 5.03 -0.03 1.25 2.15 -1.26 -4.81 116.67 113.37 3ku4 s ASP 211 Ca -0.13 -0.20 -0.02 0.00 0.43 0.00 0.00 52.55 52.64 3ku4 s ASP 211 Cb 0.10 -1.19 -0.01 0.00 -0.30 0.00 0.00 42.92 41.52 3ku4 s ASP 211 CO 0.73 0.16 -0.03 0.15 -0.17 0.00 0.00 175.17 176.01 3ku4 h PHE 212 N 3.30 0.00 0.16 -5.34 -0.00 -1.92 -3.22 116.94 109.93 3ku4 h PHE 212 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.49 3ku4 h PHE 212 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 3ku4 h PHE 212 CO 0.61 0.00 -0.08 1.88 -0.00 0.00 0.00 178.31 180.72 3ku4 h TYR 213 N -0.24 -0.20 0.06 0.41 -1.99 -1.96 -2.13 116.97 110.91 3ku4 h TYR 213 Ca 0.00 -0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.40 3ku4 h TYR 213 Cb 0.08 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 3ku4 h TYR 213 CO -0.04 0.08 -1.85 0.39 -0.00 0.00 0.00 178.16 176.74 3ku4 n GLU 214 N -5.07 0.69 0.26 4.88 1.02 -1.26 -0.82 120.64 120.33 3ku4 n GLU 214 Ca -0.09 0.28 0.10 0.00 -0.02 0.00 0.00 57.16 57.43 3ku4 n GLU 214 Cb 0.20 -1.75 0.68 0.00 -0.02 0.00 0.00 31.44 30.55 3ku4 n GLU 214 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ku4 h GLY 215 N 2.43 0.00 -1.52 0.62 0.00 -1.64 -1.64 103.07 101.32 3ku4 h GLY 215 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3ku4 h GLY 215 CO 0.08 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.56 3ku4 n GLN 216 N -4.00 2.66 -2.88 4.80 6.02 -0.80 -4.88 117.38 118.31 3ku4 n GLN 216 Ca -0.02 -2.09 -0.15 0.00 -0.01 0.00 0.00 57.00 54.72 3ku4 n GLN 216 Cb 0.20 -1.32 0.03 0.00 1.02 0.00 0.00 30.24 30.17 3ku4 n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ku4 n GLY 217 N 0.75 -0.10 3.83 1.08 0.00 -0.62 -5.01 105.19 105.13 3ku4 n GLY 217 Ca 0.14 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3ku4 n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ku4 s ARG 218 N -5.45 3.05 0.00 1.61 0.52 -0.00 -4.84 118.95 113.84 3ku4 s ARG 218 Ca 0.25 0.89 0.21 0.00 -0.52 0.00 0.00 55.73 56.56 3ku4 s ARG 218 Cb -0.11 -2.01 0.22 0.00 0.52 0.00 0.00 34.95 33.57 3ku4 s ARG 218 CO 0.31 -1.00 1.20 1.28 0.02 0.00 0.00 175.30 177.11 3ku4 n LEU 219 N -3.06 2.87 -0.61 2.53 4.77 -1.26 -4.60 117.00 117.64 3ku4 n LEU 219 Ca 0.07 -1.14 0.08 0.00 -0.03 0.00 0.00 56.01 54.99 3ku4 n LEU 219 Cb 0.54 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.77 3ku4 n LEU 219 CO 0.56 0.53 0.65 -0.90 -1.33 0.00 0.00 177.39 176.91 3ku4 n ASP 220 N 1.20 3.28 -3.06 -1.43 3.85 -1.26 -4.98 116.55 114.14 3ku4 n ASP 220 Ca 0.13 -2.84 -0.15 0.00 -0.71 0.00 0.00 54.79 51.23 3ku4 n ASP 220 Cb 0.53 -0.44 0.10 0.00 -1.35 0.00 0.00 41.12 39.95 3ku4 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ku4 n GLY 221 N -0.60 -0.97 0.15 6.12 0.00 -1.26 -4.98 105.19 103.65 3ku4 n GLY 221 Ca 0.17 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.48 3ku4 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ku4 h ALA 222 N -1.65 0.77 -3.28 4.61 0.00 -1.99 -3.43 119.26 114.28 3ku4 h ALA 222 Ca -0.22 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 53.70 3ku4 h ALA 222 Cb 0.63 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 17.99 3ku4 h ALA 222 CO 0.16 0.61 -0.82 -0.51 0.00 0.00 0.00 179.25 178.70 3ku4 s LEU 223 N -6.70 1.53 -0.21 0.00 2.01 -1.26 -5.11 118.68 108.93 3ku4 s LEU 223 Ca 0.02 -0.35 -0.07 0.00 0.01 0.00 0.00 54.13 53.74 3ku4 s LEU 223 Cb 0.09 -0.93 0.10 0.00 0.01 0.00 0.00 46.19 45.46 3ku4 s LEU 223 CO 0.73 -0.02 0.46 0.00 1.01 0.00 0.00 176.35 178.52 3ku4 n SER 225 N 5.38 3.09 -4.32 0.00 3.41 -1.26 -5.02 113.62 114.89 3ku4 n SER 225 Ca -0.09 -1.96 -0.29 0.00 -0.26 0.00 0.00 58.87 56.26 3ku4 n SER 225 Cb 0.49 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 3ku4 n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3ku4 s TYR 226 N -1.74 1.77 0.40 7.33 1.13 -1.26 -5.17 117.35 119.82 3ku4 s TYR 226 Ca 0.31 -1.21 0.06 0.00 -1.41 0.00 0.00 57.07 54.81 3ku4 s TYR 226 Cb 0.20 -1.32 -0.07 0.00 -1.10 0.00 0.00 41.96 39.67 3ku4 s TYR 226 CO 0.29 -0.14 0.02 0.95 -2.51 0.00 0.00 175.55 174.16 3ku4 s THR 227 N -3.06 1.82 0.39 -3.49 -4.23 -1.26 -5.01 115.64 100.80 3ku4 s THR 227 Ca 0.13 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 3ku4 s THR 227 Cb 0.01 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 71.19 3ku4 s THR 227 CO 0.09 0.00 2.03 -0.08 -0.54 0.00 0.00 174.62 176.13 3ku4 h GLU 228 N 1.80 0.58 -0.42 3.99 4.57 -1.99 -0.96 114.58 122.15 3ku4 h GLU 228 Ca -0.43 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 3ku4 h GLU 228 Cb 1.25 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 3ku4 h GLU 228 CO 0.79 0.41 0.18 0.87 -1.18 0.00 0.00 179.01 180.07 3ku4 h LYS 229 N 0.60 0.63 -0.49 1.92 6.56 -1.99 -0.50 116.57 123.29 3ku4 h LYS 229 Ca 0.16 -0.11 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 3ku4 h LYS 229 Cb -0.03 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.50 3ku4 h LYS 229 CO -0.03 0.57 0.31 -0.44 -2.06 0.00 0.00 179.45 177.80 3ku4 h ASP 230 N 0.54 0.52 0.17 0.86 3.32 -1.75 -1.26 116.42 118.81 3ku4 h ASP 230 Ca 0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3ku4 h ASP 230 Cb 0.17 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ku4 h ASP 230 CO -0.01 0.37 -0.08 0.50 -1.72 0.00 0.00 179.24 178.30 3ku4 h LYS 231 N 0.62 -0.22 -0.51 3.56 3.64 -1.05 -2.18 116.57 120.43 3ku4 h LYS 231 Ca 0.19 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3ku4 h LYS 231 Cb -0.03 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3ku4 h LYS 231 CO -0.07 -0.08 0.19 1.96 -2.27 0.00 0.00 179.45 179.18 3ku4 h GLN 232 N -0.30 0.75 -0.74 1.90 1.08 -0.94 -0.37 115.11 116.49 3ku4 h GLN 232 Ca -0.02 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 3ku4 h GLN 232 Cb 0.24 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 3ku4 h GLN 232 CO 0.04 0.63 0.28 0.22 -0.95 0.00 0.00 178.83 179.06 3ku4 h ASP 233 N 0.74 1.02 -0.42 1.46 3.58 -1.16 -0.10 116.42 121.54 3ku4 h ASP 233 Ca 0.17 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 3ku4 h ASP 233 Cb 0.18 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3ku4 h ASP 233 CO -0.01 0.91 0.03 0.22 -2.88 0.00 0.00 179.24 177.50 3ku4 h TYR 234 N 1.08 0.79 -0.18 0.28 3.20 -0.55 -1.74 116.97 119.85 3ku4 h TYR 234 Ca 0.25 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 3ku4 h TYR 234 Cb 0.22 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3ku4 h TYR 234 CO 0.02 0.78 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.84 3ku4 h LEU 235 N 0.57 0.43 -0.57 2.82 3.38 -0.89 0.07 115.31 121.13 3ku4 h LEU 235 Ca 0.12 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3ku4 h LEU 235 Cb 0.45 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ku4 h LEU 235 CO 0.02 0.79 -0.06 0.03 0.09 0.00 0.00 178.44 179.31 3ku4 h ARG 236 N 0.34 1.06 -0.29 1.13 3.08 -0.91 -0.24 114.38 118.55 3ku4 h ARG 236 Ca 0.03 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.72 3ku4 h ARG 236 Cb 0.86 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3ku4 h ARG 236 CO 0.07 1.07 0.18 0.00 -1.07 0.00 0.00 179.97 180.22 3ku4 h ALA 237 N 0.95 0.36 -0.42 0.04 0.00 -0.90 -0.63 119.26 118.66 3ku4 h ALA 237 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3ku4 h ALA 237 Cb 0.63 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3ku4 h ALA 237 CO 0.04 -0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.18 3ku4 h ALA 238 N 1.11 0.45 -0.71 0.00 0.00 -0.74 -1.14 119.26 118.23 3ku4 h ALA 238 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ku4 h ALA 238 Cb -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ku4 h ALA 238 CO -0.04 -0.33 0.46 -0.92 0.00 0.00 0.00 179.25 178.42 3ku4 h TYR 239 N 0.20 0.91 -0.18 0.00 3.20 -0.74 -1.79 116.97 118.57 3ku4 h TYR 239 Ca 0.20 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3ku4 h TYR 239 Cb 0.26 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3ku4 h TYR 239 CO -0.22 0.59 0.06 0.00 -1.64 0.00 0.00 178.16 176.96 3ku4 h ALA 240 N 1.25 1.77 -0.02 1.82 0.00 -0.44 -1.05 119.26 122.59 3ku4 h ALA 240 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ku4 h ALA 240 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ku4 h ALA 240 CO -0.05 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3ku4 n ALA 241 N -2.50 2.59 -0.07 0.00 0.00 -0.49 -4.90 120.51 115.13 3ku4 n ALA 241 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ku4 n ALA 241 Cb 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3ku4 n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ku4 n GLY 242 N 0.80 0.60 3.75 0.00 0.00 -0.40 -4.96 105.19 104.99 3ku4 n GLY 242 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3ku4 n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ku4 s ILE 243 N -2.12 4.57 0.00 -0.61 1.01 -0.81 -1.17 121.20 122.06 3ku4 s ILE 243 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.39 3ku4 s ILE 243 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3ku4 s ILE 243 CO 0.00 0.41 0.00 0.54 0.00 0.00 0.00 174.94 175.89 3ku4 n ARG 244 N 2.41 3.97 -3.81 2.79 5.12 -0.38 -4.08 116.66 122.67 3ku4 n ARG 244 Ca -0.03 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.80 3ku4 n ARG 244 Cb 0.49 -0.60 -0.05 0.00 -1.16 0.00 0.00 32.46 31.15 3ku4 n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ku4 s ASN 245 N -1.13 -0.14 -0.05 0.55 4.22 -1.23 -0.22 114.94 116.94 3ku4 s ASN 245 Ca 0.00 -0.61 0.02 0.00 -2.14 0.00 0.00 52.86 50.12 3ku4 s ASN 245 Cb 0.00 0.52 0.02 0.00 1.28 0.00 0.00 41.25 43.06 3ku4 s ASN 245 CO 0.00 -0.98 -0.08 -0.63 -2.04 0.00 0.00 177.10 173.37 3ku4 s ILE 246 N -3.90 0.82 0.00 0.54 1.01 0.66 -0.69 121.20 119.63 3ku4 s ILE 246 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3ku4 s ILE 246 Cb 0.01 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.70 3ku4 s ILE 246 CO -0.02 0.28 0.00 -1.84 0.00 0.00 0.00 174.94 173.36 3ku4 n GLU 247 N 3.84 0.00 0.00 2.79 -0.00 -0.06 -1.81 120.64 125.40 3ku4 n GLU 247 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.92 3ku4 n GLU 247 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3ku4 n GLU 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3ku4 n MET 248 N 0.00 2.35 0.00 3.44 2.81 -1.26 -1.26 117.12 123.20 3ku4 n MET 248 Ca 0.00 -1.32 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 3ku4 n MET 248 Cb 0.00 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3ku4 n MET 248 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ku4 n GLU 249 N -0.41 1.10 -0.33 0.03 4.71 -1.26 -3.43 120.64 121.05 3ku4 n GLU 249 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 3ku4 n GLU 249 Cb 0.23 -0.10 0.16 0.00 -1.01 0.00 0.00 31.44 30.72 3ku4 n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ku4 h ALA 250 N 0.00 1.27 0.24 0.62 0.00 -1.94 -3.08 119.26 116.37 3ku4 h ALA 250 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ku4 h ALA 250 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ku4 h ALA 250 CO 0.00 0.33 -0.12 0.77 0.00 0.00 0.00 179.25 180.23 3ku4 h SER 251 N 1.04 -0.28 -0.17 0.00 0.02 -1.91 -1.49 113.55 110.75 3ku4 h SER 251 Ca 0.40 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 3ku4 h SER 251 Cb 0.19 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3ku4 h SER 251 CO -0.18 -0.18 -0.05 0.58 -1.14 0.00 0.00 176.83 175.86 3ku4 h VAL 252 N -0.35 1.20 0.23 2.27 2.07 -1.95 0.31 116.25 120.04 3ku4 h VAL 252 Ca -0.03 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3ku4 h VAL 252 Cb 0.27 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3ku4 h VAL 252 CO 0.05 0.28 -0.13 0.15 0.02 0.00 0.00 177.57 177.94 3ku4 h PHE 253 N 0.45 -0.34 -0.22 1.57 3.57 -1.42 0.82 116.94 121.37 3ku4 h PHE 253 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3ku4 h PHE 253 Cb 0.37 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3ku4 h PHE 253 CO 0.01 -0.21 0.07 0.00 -2.23 0.00 0.00 178.31 175.95 3ku4 h ALA 254 N 0.42 0.29 -0.25 2.41 0.00 -1.08 -1.56 119.26 119.50 3ku4 h ALA 254 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ku4 h ALA 254 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ku4 h ALA 254 CO 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 3ku4 h ALA 255 N 0.89 0.21 -0.29 0.00 0.00 -0.85 -0.25 119.26 118.96 3ku4 h ALA 255 Ca 0.07 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3ku4 h ALA 255 Cb 0.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ku4 h ALA 255 CO -0.00 -0.43 -0.38 0.52 0.00 0.00 0.00 179.25 178.96 3ku4 h MET 256 N 0.06 0.67 -0.32 0.00 2.07 -0.74 -1.40 114.93 115.26 3ku4 h MET 256 Ca 0.12 -0.34 -0.04 0.00 -2.07 0.00 0.00 59.70 57.37 3ku4 h MET 256 Cb 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 3ku4 h MET 256 CO -0.21 0.94 0.03 0.00 1.07 0.00 0.00 176.91 178.74 3ku4 h ASN 258 N 0.36 1.00 -0.38 0.00 2.35 -0.92 0.20 115.58 118.20 3ku4 h ASN 258 Ca 0.10 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3ku4 h ASN 258 Cb 0.38 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3ku4 h ASN 258 CO 0.01 0.67 -0.09 0.00 -1.65 0.00 0.00 177.43 176.37 3ku4 h ALA 259 N 1.46 0.99 -0.59 -0.83 0.00 -1.10 -2.58 119.26 116.61 3ku4 h ALA 259 Ca 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ku4 h ALA 259 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ku4 h ALA 259 CO -0.13 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3ku4 n GLY 261 N 1.43 -0.33 3.82 0.00 0.00 -0.32 -4.62 105.19 105.16 3ku4 n GLY 261 Ca 0.20 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3ku4 n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ku4 s LEU 262 N -5.59 4.34 -0.09 0.99 1.43 0.55 -5.00 118.68 115.31 3ku4 s LEU 262 Ca 0.22 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 3ku4 s LEU 262 Cb -0.10 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3ku4 s LEU 262 CO 0.27 0.29 1.27 -0.13 0.23 0.00 0.00 176.35 178.29 3ku4 s ARG 263 N -0.49 4.29 0.04 1.70 0.52 -1.26 -4.38 118.95 119.37 3ku4 s ARG 263 Ca 0.15 1.73 -0.01 0.00 -0.52 0.00 0.00 55.73 57.08 3ku4 s ARG 263 Cb -0.13 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 3ku4 s ARG 263 CO 0.04 -0.57 -0.02 0.00 0.02 0.00 0.00 175.30 174.78 3ku4 s ALA 264 N 2.76 0.28 0.05 2.13 0.00 -1.26 -1.32 121.76 124.40 3ku4 s ALA 264 Ca 0.57 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 3ku4 s ALA 264 Cb -0.25 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3ku4 s ALA 264 CO 0.20 -0.27 0.08 0.00 0.00 0.00 0.00 175.76 175.77 3ku4 s ALA 265 N -2.71 0.06 -0.11 0.00 0.00 -0.01 -2.85 121.76 116.14 3ku4 s ALA 265 Ca -0.04 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3ku4 s ALA 265 Cb -0.01 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3ku4 s ALA 265 CO -0.06 -0.37 -0.12 0.08 0.00 0.00 0.00 175.76 175.30 3ku4 s VAL 266 N -3.18 1.26 -0.27 0.00 1.01 -1.26 -0.90 120.40 117.05 3ku4 s VAL 266 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3ku4 s VAL 266 Cb 0.02 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.28 3ku4 s VAL 266 CO -0.07 0.40 0.00 -0.69 0.00 0.00 0.00 175.10 174.74 3ku4 s VAL 267 N 1.25 1.52 -0.00 2.92 1.01 0.31 -1.09 120.40 126.32 3ku4 s VAL 267 Ca -0.02 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.55 3ku4 s VAL 267 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3ku4 s VAL 267 CO -0.04 -0.33 -0.23 0.00 0.00 0.00 0.00 175.10 174.50 3ku4 s VAL 269 N -0.60 4.78 0.07 0.00 0.11 -0.45 -0.42 120.40 123.90 3ku4 s VAL 269 Ca 0.09 0.90 -0.12 0.00 -2.93 0.00 0.00 61.98 59.92 3ku4 s VAL 269 Cb -0.09 -3.74 -0.06 0.00 -1.53 0.00 0.00 36.38 30.96 3ku4 s VAL 269 CO -0.00 0.17 0.44 0.42 -3.33 0.00 0.00 175.10 172.79 3ku4 s THR 270 N -1.56 5.02 -0.84 5.04 -4.23 0.09 -0.80 115.64 118.36 3ku4 s THR 270 Ca 0.41 0.65 0.19 0.00 -1.18 0.00 0.00 61.69 61.77 3ku4 s THR 270 Cb -0.15 -3.69 -0.22 0.00 1.34 0.00 0.00 72.50 69.79 3ku4 s THR 270 CO 0.20 0.36 0.79 0.18 -0.54 0.00 0.00 174.62 175.61 3ku4 n LEU 271 N 1.14 0.84 -3.57 4.79 4.77 -0.63 -0.87 117.00 123.48 3ku4 n LEU 271 Ca -0.09 -0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 55.37 3ku4 n LEU 271 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3ku4 n LEU 271 CO 0.41 0.21 0.76 -1.48 -1.33 0.00 0.00 177.39 175.96 3ku4 s LEU 272 N -3.04 -0.28 -0.52 2.23 2.34 -1.26 -4.78 118.68 113.36 3ku4 s LEU 272 Ca 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 54.13 54.15 3ku4 s LEU 272 Cb 0.14 1.92 0.34 0.00 -0.56 0.00 0.00 46.19 48.04 3ku4 s LEU 272 CO 0.80 -0.60 2.04 -3.20 -1.06 0.00 0.00 176.35 174.33 3ku4 n ASN 273 N -0.28 7.18 0.00 1.48 2.85 -1.26 -1.20 115.26 124.03 3ku4 n ASN 273 Ca -0.07 -3.48 0.00 0.00 -0.11 0.00 0.00 54.58 50.92 3ku4 n ASN 273 Cb 0.61 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.61 3ku4 n ASN 273 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3ku4 n ARG 274 N -0.36 0.00 0.00 1.20 1.74 -0.76 -1.82 116.66 116.67 3ku4 n ARG 274 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3ku4 n ARG 274 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 3ku4 n ARG 274 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ku4 n LEU 275 N 0.00 0.00 0.00 0.55 4.77 -1.26 0.58 117.00 121.64 3ku4 n LEU 275 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ku4 n LEU 275 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ku4 n LEU 275 CO 0.00 0.00 0.24 -0.62 -1.33 0.00 0.00 177.39 175.68 3ku4 n GLU 276 N -2.61 0.00 0.00 3.23 1.02 -0.75 -4.83 120.64 116.69 3ku4 n GLU 276 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3ku4 n GLU 276 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3ku4 n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ku4 n GLY 277 N -0.90 -0.04 0.84 0.62 0.00 2.38 -4.86 105.19 103.23 3ku4 n GLY 277 Ca 0.00 -2.28 0.10 0.00 0.00 0.00 0.00 46.02 43.84 3ku4 n GLY 277 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ku4 n ASP 278 N 0.00 2.77 -4.76 1.61 8.00 -1.26 -3.79 116.55 119.13 3ku4 n ASP 278 Ca 0.00 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 3ku4 n ASP 278 Cb 0.00 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 3ku4 n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ku4 s GLN 279 N -1.61 4.45 -0.50 -1.24 0.00 -1.26 -5.00 119.66 114.49 3ku4 s GLN 279 Ca 0.25 2.05 -0.13 0.00 -0.00 0.00 0.00 55.36 57.53 3ku4 s GLN 279 Cb 0.17 -3.14 0.12 0.00 0.00 0.00 0.00 33.01 30.16 3ku4 s GLN 279 CO 0.26 -0.09 0.42 0.42 0.00 0.00 0.00 175.29 176.30 3ku4 s ILE 280 N -0.81 4.81 -0.93 3.63 1.01 -1.26 -4.87 121.20 122.77 3ku4 s ILE 280 Ca 0.50 -1.56 0.25 0.00 0.00 0.00 0.00 60.65 59.84 3ku4 s ILE 280 Cb -0.37 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.05 3ku4 s ILE 280 CO 0.46 -0.79 1.43 -1.20 0.00 0.00 0.00 174.94 174.83 3ku4 n SER 281 N 5.11 0.50 -4.74 3.58 7.64 -1.26 -4.89 113.62 119.55 3ku4 n SER 281 Ca -0.11 -0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.22 3ku4 n SER 281 Cb 0.41 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 3ku4 n SER 281 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3ku4 s SER 282 N -3.24 6.58 0.80 6.43 0.01 -1.26 -4.99 113.70 118.03 3ku4 s SER 282 Ca 0.10 2.73 -0.13 0.00 1.31 0.00 0.00 55.95 59.96 3ku4 s SER 282 Cb 0.17 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.86 3ku4 s SER 282 CO 0.69 -0.77 1.17 -2.84 0.41 0.00 0.00 173.24 171.91 3ku4 s PRO 283 N -0.20 1.75 0.23 12.44 0.02 -1.26 -4.73 135.00 143.25 3ku4 s PRO 283 Ca 0.62 1.62 -0.09 0.00 0.02 0.00 0.00 61.00 63.17 3ku4 s PRO 283 Cb -0.43 -1.80 0.37 0.00 0.02 0.00 0.00 34.50 32.65 3ku4 s PRO 283 CO 0.43 -2.10 1.65 1.25 -0.33 0.00 0.00 177.00 177.90 3ku4 h HIS 284 N -0.95 -0.02 -0.55 6.54 -0.00 -1.99 -0.81 115.15 117.37 3ku4 h HIS 284 Ca -0.45 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.05 3ku4 h HIS 284 Cb 1.28 0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 28.74 3ku4 h HIS 284 CO 0.49 -0.19 0.18 -0.44 -0.00 0.00 0.00 177.93 177.98 3ku4 h ASP 285 N 0.12 0.16 -0.24 3.26 3.32 -2.00 -1.08 116.42 119.97 3ku4 h ASP 285 Ca 0.37 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.42 3ku4 h ASP 285 Cb 0.62 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3ku4 h ASP 285 CO -0.59 0.11 -0.16 0.58 -1.72 0.00 0.00 179.24 177.47 3ku4 h VAL 286 N 0.35 1.31 -0.62 -1.35 2.07 -1.64 -2.89 116.25 113.49 3ku4 h VAL 286 Ca 0.27 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.57 3ku4 h VAL 286 Cb 0.33 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3ku4 h VAL 286 CO -0.29 0.39 0.36 -0.07 0.02 0.00 0.00 177.57 177.98 3ku4 h LEU 287 N 0.24 0.56 -1.34 2.57 3.38 -0.94 -0.45 115.31 119.34 3ku4 h LEU 287 Ca 0.05 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ku4 h LEU 287 Cb 0.68 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3ku4 h LEU 287 CO 0.04 0.38 0.49 0.00 0.09 0.00 0.00 178.44 179.44 3ku4 h ALA 288 N 1.30 1.66 -0.26 1.53 0.00 -1.13 0.70 119.26 123.05 3ku4 h ALA 288 Ca 0.26 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3ku4 h ALA 288 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ku4 h ALA 288 CO -0.14 0.23 -0.28 1.49 0.00 0.00 0.00 179.25 180.55 3ku4 h GLU 289 N 0.81 0.65 -0.85 0.00 4.22 -1.14 -3.09 114.58 115.17 3ku4 h GLU 289 Ca 0.32 -0.35 0.06 0.00 0.08 0.00 0.00 59.36 59.46 3ku4 h GLU 289 Cb 0.22 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3ku4 h GLU 289 CO -0.11 0.96 0.53 1.88 -2.18 0.00 0.00 179.01 180.09 3ku4 h TYR 290 N 0.37 0.98 -0.78 0.92 0.99 0.06 -2.08 116.97 117.43 3ku4 h TYR 290 Ca 0.04 0.03 0.19 0.00 2.00 0.00 0.00 58.73 60.98 3ku4 h TYR 290 Cb 0.85 -0.32 -0.05 0.00 1.00 0.00 0.00 36.73 38.22 3ku4 h TYR 290 CO 0.08 0.51 0.54 1.96 -0.00 0.00 0.00 178.16 181.24 3ku4 h GLN 291 N 0.97 0.24 0.00 4.88 1.08 -0.83 -1.61 115.11 119.85 3ku4 h GLN 291 Ca 0.37 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3ku4 h GLN 291 Cb 0.15 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3ku4 h GLN 291 CO -0.17 0.16 -0.44 1.04 -0.95 0.00 0.00 178.83 178.47 3ku4 n GLN 292 N -4.43 0.22 -0.07 1.46 6.02 -0.79 -4.39 117.38 115.40 3ku4 n GLN 292 Ca 0.16 0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 57.17 3ku4 n GLN 292 Cb 0.68 -1.67 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 3ku4 n GLN 292 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ku4 h ARG 293 N 0.00 0.05 -0.62 -1.09 3.08 -1.27 0.16 114.38 114.69 3ku4 h ARG 293 Ca 0.00 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3ku4 h ARG 293 Cb 0.69 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 3ku4 h ARG 293 CO 0.00 0.03 0.38 -1.35 -1.07 0.00 0.00 179.97 177.96 3ku4 h PRO 294 N 0.05 0.72 -0.69 0.04 0.11 -1.77 -1.27 132.00 129.18 3ku4 h PRO 294 Ca 0.13 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.28 3ku4 h PRO 294 Cb 0.19 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.07 3ku4 h PRO 294 CO -0.25 0.48 0.36 0.37 -0.21 0.00 0.00 178.00 178.74 3ku4 h GLN 295 N 0.74 0.61 -0.29 1.05 4.15 -1.67 -0.52 115.11 119.19 3ku4 h GLN 295 Ca 0.25 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 3ku4 h GLN 295 Cb 0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3ku4 h GLN 295 CO -0.10 0.40 0.02 0.00 -1.93 0.00 0.00 178.83 177.22 3ku4 h ARG 296 N 0.63 0.49 -0.27 1.69 3.08 -0.28 -0.48 114.38 119.23 3ku4 h ARG 296 Ca 0.33 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3ku4 h ARG 296 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3ku4 h ARG 296 CO -0.24 0.62 0.16 1.25 -1.07 0.00 0.00 179.97 180.69 3ku4 h LEU 297 N 0.29 0.33 -0.46 3.04 5.85 -0.94 -1.96 115.31 121.47 3ku4 h LEU 297 Ca 0.08 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3ku4 h LEU 297 Cb 0.39 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ku4 h LEU 297 CO 0.01 0.30 0.07 0.58 -0.34 0.00 0.00 178.44 179.06 3ku4 h VAL 298 N 0.34 1.25 -0.90 1.05 2.07 -0.99 -1.46 116.25 117.61 3ku4 h VAL 298 Ca 0.10 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.76 3ku4 h VAL 298 Cb 0.03 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3ku4 h VAL 298 CO -0.02 0.32 0.59 1.23 0.02 0.00 0.00 177.57 179.71 3ku4 h GLY 299 N 0.62 1.30 1.13 2.17 0.00 -1.01 -0.12 103.07 107.16 3ku4 h GLY 299 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 3ku4 h GLY 299 CO 0.01 0.33 -0.12 -1.61 0.00 0.00 0.00 176.54 175.15 3ku4 h GLN 300 N 1.06 1.02 -0.12 4.80 -0.00 -1.09 -0.15 115.11 120.63 3ku4 h GLN 300 Ca 0.38 -0.38 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 3ku4 h GLN 300 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 3ku4 h GLN 300 CO -0.13 1.06 0.06 0.35 0.00 0.00 0.00 178.83 180.17 3ku4 h PHE 301 N 0.90 0.11 -0.44 3.99 3.04 -0.62 -0.94 116.94 122.97 3ku4 h PHE 301 Ca 0.14 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 3ku4 h PHE 301 Cb 0.69 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 3ku4 h PHE 301 CO 0.05 0.06 0.02 0.82 -2.02 0.00 0.00 178.31 177.24 3ku4 h ILE 302 N 0.13 1.26 -0.52 1.41 2.04 -0.94 -1.35 117.51 119.52 3ku4 h ILE 302 Ca 0.05 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 64.98 3ku4 h ILE 302 Cb 0.01 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3ku4 h ILE 302 CO -0.04 0.34 0.24 0.50 0.00 0.00 0.00 178.15 179.19 3ku4 h LYS 303 N 0.61 0.44 -0.46 2.37 3.64 -0.88 -1.21 116.57 121.08 3ku4 h LYS 303 Ca 0.13 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 3ku4 h LYS 303 Cb 0.45 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3ku4 h LYS 303 CO 0.02 0.29 -0.14 0.87 -2.27 0.00 0.00 179.45 178.23 3ku4 h LYS 304 N 0.46 0.91 -0.81 1.90 1.57 -1.05 -2.86 116.57 116.68 3ku4 h LYS 304 Ca 0.24 -0.36 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3ku4 h LYS 304 Cb 0.20 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3ku4 h LYS 304 CO -0.20 1.01 0.53 0.00 -0.57 0.00 0.00 179.45 180.22 3ku4 h ARG 305 N 0.75 0.85 -0.13 3.15 2.47 -0.69 -1.17 114.38 119.61 3ku4 h ARG 305 Ca 0.11 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3ku4 h ARG 305 Cb 0.69 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3ku4 h ARG 305 CO 0.05 0.56 0.00 1.28 0.56 0.00 0.00 179.97 182.42 3ku4 n LEU 306 N -4.48 1.04 -0.52 3.04 4.77 -0.51 -5.10 117.00 115.24 3ku4 n LEU 306 Ca 0.12 -0.46 0.14 0.00 -0.03 0.00 0.00 56.01 55.78 3ku4 n LEU 306 Cb 0.22 -0.09 0.49 0.00 -2.33 0.00 0.00 43.42 41.71 3ku4 n LEU 306 CO 0.33 0.23 0.85 0.23 -1.33 0.00 0.00 177.39 177.71