#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku4 s LEU 17 N 0.00 4.21 0.16 0.64 1.43 -1.26 -1.80 118.68 122.06 3ku4 s LEU 17 Ca 0.00 2.42 -0.31 0.00 -1.03 0.00 0.00 54.13 55.20 3ku4 s LEU 17 Cb 0.00 -3.98 -0.11 0.00 0.03 0.00 0.00 46.19 42.13 3ku4 s LEU 17 CO 0.00 -0.71 1.72 -0.69 0.23 0.00 0.00 176.35 176.91 3ku4 s VAL 18 N -1.37 2.39 0.11 -1.59 1.01 -0.53 -4.96 120.40 115.47 3ku4 s VAL 18 Ca 0.57 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.79 3ku4 s VAL 18 Cb -0.32 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3ku4 s VAL 18 CO 0.41 0.01 -0.24 -1.10 0.00 0.00 0.00 175.10 174.18 3ku4 s GLN 19 N 1.82 1.25 0.45 2.72 -1.52 -1.26 -4.65 119.66 118.47 3ku4 s GLN 19 Ca 0.76 -1.24 0.01 0.00 -1.95 0.00 0.00 55.36 52.94 3ku4 s GLN 19 Cb -0.47 -1.62 -0.00 0.00 -0.22 0.00 0.00 33.01 30.71 3ku4 s GLN 19 CO 0.33 0.38 0.66 -0.51 -0.25 0.00 0.00 175.29 175.90 3ku4 s LEU 20 N -1.96 3.65 -0.55 2.90 1.43 -1.26 -4.88 118.68 118.00 3ku4 s LEU 20 Ca 0.10 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 3ku4 s LEU 20 Cb -0.10 -3.10 0.41 0.00 0.03 0.00 0.00 46.19 43.44 3ku4 s LEU 20 CO 0.05 -0.71 1.47 0.00 0.23 0.00 0.00 176.35 177.38 3ku4 s ASN 22 N -2.72 -0.23 0.65 0.00 2.47 -1.26 -5.01 114.94 108.84 3ku4 s ASN 22 Ca 0.51 -0.38 0.34 0.00 0.42 0.00 0.00 52.86 53.75 3ku4 s ASN 22 Cb 0.42 1.37 1.87 0.00 -1.45 0.00 0.00 41.25 43.46 3ku4 s ASN 22 CO -0.19 -0.32 2.09 1.55 -3.72 0.00 0.00 177.10 176.52 3ku4 h PRO 23 N 7.92 0.00 -0.46 0.43 0.13 -2.03 -2.79 132.00 135.20 3ku4 h PRO 23 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 3ku4 h PRO 23 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3ku4 h PRO 23 CO 0.21 0.00 0.06 0.45 -0.23 0.00 0.00 178.00 178.49 3ku4 h HIS 24 N 0.00 0.74 0.13 1.56 3.86 -1.98 -3.19 115.15 116.26 3ku4 h HIS 24 Ca 0.03 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 3ku4 h HIS 24 Cb 0.46 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3ku4 h HIS 24 CO 0.00 0.66 -0.06 0.82 0.86 0.00 0.00 177.93 180.21 3ku4 h ILE 25 N 0.68 0.93 -0.44 2.45 1.08 -1.91 -2.32 117.51 117.99 3ku4 h ILE 25 Ca 0.15 -0.19 0.12 0.00 -0.39 0.00 0.00 64.86 64.54 3ku4 h ILE 25 Cb 0.34 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 3ku4 h ILE 25 CO 0.01 0.05 0.31 0.00 -0.69 0.00 0.00 178.15 177.82 3ku4 h ALA 26 N 0.61 2.33 -0.01 1.87 0.00 -1.75 -0.55 119.26 121.76 3ku4 h ALA 26 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ku4 h ALA 26 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ku4 h ALA 26 CO 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 179.25 178.82 3ku4 n ALA 27 N -2.60 2.61 -1.97 0.00 0.00 -0.91 -4.89 120.51 112.75 3ku4 n ALA 27 Ca 0.07 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 3ku4 n ALA 27 Cb 0.47 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.02 4.35 0.28 0.00 1.00 -0.22 -4.96 119.30 117.74 3ku4 s MET 28 Ca 0.39 1.03 0.04 0.00 0.00 0.00 0.00 55.69 57.16 3ku4 s MET 28 Cb 0.21 -2.77 0.41 0.00 0.00 0.00 0.00 34.83 32.68 3ku4 s MET 28 CO 0.35 0.31 1.70 -0.22 0.00 0.00 0.00 175.02 177.15 3ku4 h LYS 29 N 3.14 0.37 -2.53 2.03 3.64 -1.90 -3.45 116.57 117.87 3ku4 h LYS 29 Ca -0.48 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 58.65 3ku4 h LYS 29 Cb 1.19 -0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.76 3ku4 h LYS 29 CO 0.65 0.68 -0.16 -2.00 -2.27 0.00 0.00 179.45 176.35 3ku4 s GLU 30 N -4.29 0.55 -0.26 1.90 2.12 -1.26 -4.94 118.70 112.53 3ku4 s GLU 30 Ca -0.06 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 55.98 3ku4 s GLU 30 Cb 0.13 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.76 3ku4 s GLU 30 CO 0.78 -0.09 -0.01 0.34 -0.54 0.00 0.00 175.26 175.74 3ku4 s ASP 31 N 0.56 4.58 -0.24 -1.70 2.15 -1.26 -4.99 116.67 115.77 3ku4 s ASP 31 Ca -0.02 -0.78 -0.11 0.00 0.43 0.00 0.00 52.55 52.06 3ku4 s ASP 31 Cb -0.04 -1.74 -0.05 0.00 -0.30 0.00 0.00 42.92 40.79 3ku4 s ASP 31 CO -0.03 -0.14 0.17 -0.63 -0.17 0.00 0.00 175.17 174.37 3ku4 s ILE 32 N 1.39 5.35 -0.92 4.11 -1.09 -1.26 -1.67 121.20 127.11 3ku4 s ILE 32 Ca 0.01 0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.47 3ku4 s ILE 32 Cb -0.17 -3.51 0.16 0.00 -1.58 0.00 0.00 42.46 37.36 3ku4 s ILE 32 CO -0.02 0.34 1.04 -0.76 -1.23 0.00 0.00 174.94 174.31 3ku4 s LEU 33 N 1.08 5.52 0.33 2.97 1.43 0.12 -4.91 118.68 125.21 3ku4 s LEU 33 Ca 0.08 -2.27 0.05 0.00 -1.03 0.00 0.00 54.13 50.96 3ku4 s LEU 33 Cb -0.14 -2.35 0.68 0.00 0.03 0.00 0.00 46.19 44.42 3ku4 s LEU 33 CO 0.05 -0.91 1.88 1.88 0.23 0.00 0.00 176.35 179.48 3ku4 h TYR 34 N 8.47 0.94 -0.01 0.29 0.05 -1.96 -1.89 116.97 122.86 3ku4 h TYR 34 Ca 0.15 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3ku4 h TYR 34 Cb 1.02 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.46 3ku4 h TYR 34 CO 1.13 0.41 -0.34 0.72 -1.05 0.00 0.00 178.16 179.03 3ku4 n HIS 35 N -4.54 0.00 0.53 4.88 8.25 -1.26 -3.51 115.22 119.57 3ku4 n HIS 35 Ca 0.16 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.70 3ku4 n HIS 35 Cb 0.35 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 3ku4 n HIS 35 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ku4 n PHE 36 N -0.57 0.00 -3.29 4.41 0.99 -0.81 -4.54 117.46 113.66 3ku4 n PHE 36 Ca 0.11 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.38 3ku4 n PHE 36 Cb 0.37 -0.15 0.06 0.00 -1.00 0.00 0.00 39.48 38.77 3ku4 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3ku4 n SER 37 N -1.67 -5.37 -4.23 4.37 7.64 -0.78 -4.05 113.62 109.53 3ku4 n SER 37 Ca 0.01 -0.39 -0.26 0.00 1.01 0.00 0.00 58.87 59.24 3ku4 n SER 37 Cb 0.34 -4.00 -0.15 0.00 -1.01 0.00 0.00 64.21 59.40 3ku4 n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ku4 s LEU 38 N -5.81 2.12 0.01 -3.43 1.43 -1.14 -4.89 118.68 106.96 3ku4 s LEU 38 Ca 0.43 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3ku4 s LEU 38 Cb -0.19 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3ku4 s LEU 38 CO 0.53 0.19 0.02 -0.55 0.23 0.00 0.00 176.35 176.77 3ku4 s SER 39 N -0.90 0.12 0.66 2.29 0.15 -1.26 0.12 113.70 114.88 3ku4 s SER 39 Ca 0.07 -0.27 0.42 0.00 0.70 0.00 0.00 55.95 56.88 3ku4 s SER 39 Cb -0.08 0.11 2.31 0.00 -1.71 0.00 0.00 66.02 66.65 3ku4 s SER 39 CO 0.01 -0.22 2.32 0.71 1.20 0.00 0.00 173.24 177.26 3ku4 h THR 40 N 4.73 0.04 0.00 6.45 1.35 -1.57 0.15 112.91 124.06 3ku4 h THR 40 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3ku4 h THR 40 Cb 1.21 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ku4 h THR 40 CO 0.43 0.00 -1.05 -1.54 -0.25 0.00 0.00 175.52 173.11 3ku4 n SER 41 N -3.12 0.65 -0.00 5.36 3.41 -1.26 -4.27 113.62 114.39 3ku4 n SER 41 Ca -0.03 0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 3ku4 n SER 41 Cb 0.11 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 3ku4 n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ku4 n THR 42 N -2.29 0.00 -4.28 6.66 -2.24 -0.75 -5.02 114.28 106.35 3ku4 n THR 42 Ca 0.01 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 3ku4 n THR 42 Cb 0.49 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.31 1.61 -0.76 4.78 4.02 0.44 -4.94 115.29 118.13 3ku4 s HIS 43 Ca -0.01 -0.50 -0.11 0.00 1.02 0.00 0.00 55.06 55.46 3ku4 s HIS 43 Cb 0.06 -0.83 0.20 0.00 -1.02 0.00 0.00 32.58 30.99 3ku4 s HIS 43 CO 0.37 0.22 0.67 0.34 1.02 0.00 0.00 174.74 177.36 3ku4 s ASP 44 N -2.41 6.34 0.09 1.40 3.68 -1.26 -4.57 116.67 119.94 3ku4 s ASP 44 Ca 0.10 -2.69 -0.22 0.00 2.13 0.00 0.00 52.55 51.87 3ku4 s ASP 44 Cb -0.06 -2.12 -0.14 0.00 -1.45 0.00 0.00 42.92 39.16 3ku4 s ASP 44 CO 0.04 -0.53 1.69 -0.26 0.13 0.00 0.00 175.17 176.24 3ku4 h PHE 45 N 7.64 0.07 -0.74 -5.34 -1.00 -1.92 -1.13 116.94 114.52 3ku4 h PHE 45 Ca 0.06 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.95 3ku4 h PHE 45 Cb 1.02 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 40.48 3ku4 h PHE 45 CO 0.94 0.10 0.35 -1.35 -1.61 0.00 0.00 178.31 176.74 3ku4 h PRO 46 N 0.02 0.54 -0.50 1.51 0.11 -1.72 0.16 132.00 132.12 3ku4 h PRO 46 Ca 0.02 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3ku4 h PRO 46 Cb 0.06 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3ku4 h PRO 46 CO -0.00 0.36 -0.06 0.00 -0.21 0.00 0.00 178.00 178.08 3ku4 h ALA 47 N 1.48 0.95 0.03 -0.75 0.00 -1.80 0.13 119.26 119.30 3ku4 h ALA 47 Ca 0.38 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 3ku4 h ALA 47 Cb 0.48 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ku4 h ALA 47 CO -0.32 0.62 -0.97 0.52 0.00 0.00 0.00 179.25 179.11 3ku4 h MET 48 N 0.80 0.61 0.00 0.00 2.86 -0.78 -3.42 114.93 115.00 3ku4 h MET 48 Ca 0.14 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 3ku4 h MET 48 Cb 0.57 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3ku4 h MET 48 CO 0.03 1.28 0.00 1.19 1.06 0.00 0.00 176.91 180.48 3ku4 n PHE 49 N -3.94 0.00 0.27 -0.22 3.01 0.54 -4.79 117.46 112.33 3ku4 n PHE 49 Ca -0.11 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.53 3ku4 n PHE 49 Cb 0.85 0.00 0.94 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 0.00 2.00 1.37 0.00 -0.73 0.20 103.07 105.91 3ku4 h GLY 50 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3ku4 h GLY 50 CO 0.00 0.00 -0.13 -1.80 0.00 0.00 0.00 176.54 174.61 3ku4 h ASP 51 N 0.00 0.00 -3.06 0.19 3.58 -1.87 -3.42 116.42 111.85 3ku4 h ASP 51 Ca 0.04 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.95 3ku4 h ASP 51 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3ku4 h ASP 51 CO -0.00 0.13 0.69 -0.69 -2.88 0.00 0.00 179.24 176.50 3ku4 s VAL 52 N -4.55 3.86 -0.03 2.25 1.01 0.70 -4.58 120.40 119.06 3ku4 s VAL 52 Ca -0.04 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3ku4 s VAL 52 Cb 0.15 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3ku4 s VAL 52 CO 0.65 0.05 0.05 0.29 0.00 0.00 0.00 175.10 176.14 3ku4 n LYS 53 N 4.59 1.96 -4.06 2.72 4.76 -0.01 -4.57 118.16 123.55 3ku4 n LYS 53 Ca 0.11 -0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 3ku4 n LYS 53 Cb 0.45 -1.11 -0.17 0.00 -1.84 0.00 0.00 35.03 32.36 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 -2.19 1.75 -0.28 2.13 0.40 -0.68 -1.42 117.98 117.70 3ku4 s PHE 54 Ca -0.02 -0.90 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 3ku4 s PHE 54 Cb 0.02 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.22 3ku4 s PHE 54 CO 0.18 -0.54 0.00 0.08 0.70 0.00 0.00 175.22 175.64 3ku4 s VAL 55 N 1.47 3.28 -0.18 -0.44 1.01 0.06 -0.69 120.40 124.91 3ku4 s VAL 55 Ca 0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 3ku4 s VAL 55 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3ku4 s VAL 55 CO -0.07 0.10 0.13 0.00 0.00 0.00 0.00 175.10 175.25 3ku4 s VAL 57 N 0.01 1.28 0.08 0.00 -7.23 -0.25 -1.35 120.40 112.94 3ku4 s VAL 57 Ca 0.10 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.44 3ku4 s VAL 57 Cb -0.11 -1.36 0.09 0.00 0.56 0.00 0.00 36.38 35.55 3ku4 s VAL 57 CO -0.00 -0.32 1.06 -0.83 -0.31 0.00 0.00 175.10 174.70 3ku4 s GLY 58 N -2.14 -0.30 0.07 2.32 0.00 -0.96 -0.69 107.32 105.62 3ku4 s GLY 58 Ca 0.05 0.40 -0.35 0.00 0.00 0.00 0.00 44.72 44.81 3ku4 s GLY 58 CO 0.03 0.08 1.60 -1.33 0.00 0.00 0.00 173.10 173.47 3ku4 h GLY 59 N 2.00 -1.15 -5.02 0.20 0.00 -1.82 0.17 103.07 97.46 3ku4 h GLY 59 Ca -0.25 0.45 -0.63 0.00 0.00 0.00 0.00 47.33 46.90 3ku4 h GLY 59 CO 0.27 -0.41 -0.48 -1.35 0.00 0.00 0.00 176.54 174.57 3ku4 s SER 60 N -4.26 6.38 0.29 0.19 1.04 -1.26 -1.12 113.70 114.96 3ku4 s SER 60 Ca -0.18 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.63 3ku4 s SER 60 Cb 0.03 -2.00 0.67 0.00 0.10 0.00 0.00 66.02 64.83 3ku4 s SER 60 CO 0.61 0.21 1.78 -0.65 0.98 0.00 0.00 173.24 176.18 3ku4 h PRO 61 N 3.49 0.75 -0.36 4.02 0.11 -1.94 -2.26 132.00 135.81 3ku4 h PRO 61 Ca -0.47 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 3ku4 h PRO 61 Cb 1.18 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ku4 h PRO 61 CO 0.72 0.50 -0.40 0.66 -0.21 0.00 0.00 178.00 179.27 3ku4 h SER 62 N 0.78 0.98 -0.57 -2.05 4.64 -1.99 -0.96 113.55 114.37 3ku4 h SER 62 Ca 0.55 -0.48 0.10 0.00 -0.47 0.00 0.00 61.79 61.49 3ku4 h SER 62 Cb 0.79 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 3ku4 h SER 62 CO -0.36 1.25 0.16 -0.09 -0.87 0.00 0.00 176.83 176.92 3ku4 h ARG 63 N 0.72 0.31 0.03 4.77 2.43 -1.89 -1.32 114.38 119.42 3ku4 h ARG 63 Ca 0.05 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.99 3ku4 h ARG 63 Cb 0.99 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3ku4 h ARG 63 CO 0.10 0.20 -1.00 0.52 -1.51 0.00 0.00 179.97 178.28 3ku4 h MET 64 N 0.31 0.13 -0.37 0.20 2.86 -1.03 -0.85 114.93 116.19 3ku4 h MET 64 Ca 0.29 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3ku4 h MET 64 Cb 0.39 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3ku4 h MET 64 CO -0.34 1.02 -0.29 -0.22 1.06 0.00 0.00 176.91 178.14 3ku4 h LYS 65 N 0.06 0.85 -0.68 1.72 3.64 -1.16 -1.57 116.57 119.43 3ku4 h LYS 65 Ca -0.05 -0.42 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 3ku4 h LYS 65 Cb 1.69 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.48 3ku4 h LYS 65 CO 0.15 1.06 0.45 0.00 -2.27 0.00 0.00 179.45 178.84 3ku4 h ALA 66 N 0.77 1.64 -0.20 5.00 0.00 -0.99 -1.16 119.26 124.33 3ku4 h ALA 66 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ku4 h ALA 66 Cb 0.87 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ku4 h ALA 66 CO 0.08 0.28 -0.18 0.35 0.00 0.00 0.00 179.25 179.77 3ku4 h PHE 67 N 0.79 0.56 -0.80 0.00 3.04 -0.85 -1.56 116.94 118.11 3ku4 h PHE 67 Ca 0.28 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 3ku4 h PHE 67 Cb 0.11 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 3ku4 h PHE 67 CO -0.00 0.82 0.37 0.97 -2.02 0.00 0.00 178.31 178.45 3ku4 h ILE 68 N 0.14 1.25 -0.20 1.41 6.09 -0.82 -0.85 117.51 124.54 3ku4 h ILE 68 Ca 0.03 -0.73 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 3ku4 h ILE 68 Cb 0.72 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 3ku4 h ILE 68 CO 0.05 0.31 0.10 0.11 -3.07 0.00 0.00 178.15 175.65 3ku4 h LYS 69 N 1.14 0.29 -0.72 2.19 1.57 -1.16 0.54 116.57 120.41 3ku4 h LYS 69 Ca 0.27 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 3ku4 h LYS 69 Cb 0.14 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3ku4 h LYS 69 CO -0.03 0.30 0.44 -0.92 -0.57 0.00 0.00 179.45 178.67 3ku4 h TYR 70 N 0.20 0.82 0.00 -1.35 3.20 -1.01 -2.07 116.97 116.77 3ku4 h TYR 70 Ca 0.07 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 3ku4 h TYR 70 Cb 0.10 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3ku4 h TYR 70 CO -0.03 0.45 -0.65 -0.24 -1.64 0.00 0.00 178.16 176.04 3ku4 h VAL 71 N 0.84 1.33 -0.42 1.81 3.04 -0.77 -1.89 116.25 120.19 3ku4 h VAL 71 Ca 0.30 -2.35 -0.12 0.00 -1.01 0.00 0.00 66.70 63.52 3ku4 h VAL 71 Cb 0.08 2.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.67 3ku4 h VAL 71 CO -0.13 0.64 -0.21 0.00 -1.01 0.00 0.00 177.57 176.86 3ku4 h ALA 72 N 1.35 0.59 0.08 3.17 0.00 -0.60 0.08 119.26 123.93 3ku4 h ALA 72 Ca -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ku4 h ALA 72 Cb 1.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3ku4 h ALA 72 CO 0.09 0.56 -0.13 0.52 0.00 0.00 0.00 179.25 180.29 3ku4 h MET 73 N 0.71 -0.26 -0.64 0.00 2.07 -1.17 0.25 114.93 115.89 3ku4 h MET 73 Ca 0.09 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.73 3ku4 h MET 73 Cb 0.78 0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 30.53 3ku4 h MET 73 CO 0.06 -0.17 0.36 0.93 1.07 0.00 0.00 176.91 179.16 3ku4 h GLU 74 N -0.27 0.87 -0.01 1.72 4.39 -1.23 -2.54 114.58 117.52 3ku4 h GLU 74 Ca 0.02 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3ku4 h GLU 74 Cb 0.28 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3ku4 h GLU 74 CO -0.07 0.63 -0.01 1.28 -1.16 0.00 0.00 179.01 179.67 3ku4 n LEU 75 N -4.39 0.64 -1.94 1.33 4.77 0.00 -4.91 117.00 112.50 3ku4 n LEU 75 Ca 0.06 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 3ku4 n LEU 75 Cb 0.09 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3ku4 n LEU 75 CO 0.37 0.11 0.09 0.61 -1.33 0.00 0.00 177.39 177.23 3ku4 n GLY 76 N 1.10 0.22 0.00 -0.72 0.00 -0.74 -5.05 105.19 100.00 3ku4 n GLY 76 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3ku4 n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ku4 n PHE 77 N -3.16 0.00 -0.06 1.61 3.01 0.82 -5.04 117.46 114.64 3ku4 n PHE 77 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3ku4 n PHE 77 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 3ku4 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ku4 n ALA 82 N -3.00 0.00 -2.34 4.37 0.00 -1.26 -4.48 120.51 113.80 3ku4 n ALA 82 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3ku4 n ALA 82 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3ku4 n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ku4 s ASP 83 N -4.00 6.60 -0.44 0.00 2.15 -1.26 -5.06 116.67 114.66 3ku4 s ASP 83 Ca 0.00 0.99 0.02 0.00 0.43 0.00 0.00 52.55 53.99 3ku4 s ASP 83 Cb 0.00 -2.26 0.13 0.00 -0.30 0.00 0.00 42.92 40.50 3ku4 s ASP 83 CO 0.00 -0.18 0.23 -0.31 -0.17 0.00 0.00 175.17 174.74 3ku4 s TYR 84 N -2.00 2.12 0.37 -5.34 2.02 -1.26 -5.12 117.35 108.14 3ku4 s TYR 84 Ca 0.49 -2.49 -0.26 0.00 -0.37 0.00 0.00 57.07 54.44 3ku4 s TYR 84 Cb -0.11 -1.99 -0.09 0.00 -0.40 0.00 0.00 41.96 39.37 3ku4 s TYR 84 CO 0.24 -0.78 1.14 -1.25 -1.57 0.00 0.00 175.55 173.32 3ku4 s PRO 85 N 0.33 4.20 0.01 -1.71 0.04 -1.26 -4.98 135.00 131.63 3ku4 s PRO 85 Ca 0.17 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 3ku4 s PRO 85 Cb -0.24 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 3ku4 s PRO 85 CO -0.00 -0.18 1.40 1.21 0.04 0.00 0.00 177.00 179.47 3ku4 s ASN 86 N -1.15 6.85 0.20 6.66 2.47 -1.26 -4.65 114.94 124.06 3ku4 s ASN 86 Ca 0.55 2.13 0.08 0.00 0.42 0.00 0.00 52.86 56.04 3ku4 s ASN 86 Cb -0.29 -2.56 0.08 0.00 -1.45 0.00 0.00 41.25 37.02 3ku4 s ASN 86 CO 0.37 -0.71 1.45 0.40 -3.72 0.00 0.00 177.10 174.89 3ku4 h ILE 87 N 4.86 1.57 -4.44 -5.21 1.08 -1.10 -3.44 117.51 110.83 3ku4 h ILE 87 Ca -0.38 -2.74 -0.46 0.00 -0.39 0.00 0.00 64.86 60.89 3ku4 h ILE 87 Cb 1.18 2.48 0.12 0.00 -3.07 0.00 0.00 36.82 37.53 3ku4 h ILE 87 CO 0.90 0.78 0.38 0.00 -0.69 0.00 0.00 178.15 179.52 3ku4 s GLU 89 N -5.54 3.69 0.49 0.00 0.41 -1.26 -4.95 118.70 111.55 3ku4 s GLU 89 Ca 0.64 1.05 0.15 0.00 -0.41 0.00 0.00 54.97 56.40 3ku4 s GLU 89 Cb -0.11 -2.09 1.18 0.00 -1.78 0.00 0.00 34.13 31.33 3ku4 s GLU 89 CO 0.51 -0.49 2.10 0.78 -0.49 0.00 0.00 175.26 177.67 3ku4 h GLY 90 N 0.70 0.16 0.79 -1.39 0.00 -1.95 -1.28 103.07 100.10 3ku4 h GLY 90 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3ku4 h GLY 90 CO 0.60 0.05 -0.07 -1.30 0.00 0.00 0.00 176.54 175.82 3ku4 n THR 91 N -4.50 0.00 0.00 4.70 -2.24 -1.26 -5.05 114.28 105.93 3ku4 n THR 91 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3ku4 n THR 91 Cb 0.16 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3ku4 n THR 91 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ku4 n ASP 92 N -0.84 0.00 -0.34 3.42 8.00 -0.49 -5.17 116.55 121.13 3ku4 n ASP 92 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3ku4 n ASP 92 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3ku4 n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ku4 n TYR 94 N 0.00 0.00 -4.39 1.24 4.02 -1.26 -5.00 117.16 111.77 3ku4 n TYR 94 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 3ku4 n TYR 94 Cb 0.00 -0.12 -0.10 0.00 -0.02 0.00 0.00 39.34 39.10 3ku4 n TYR 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ku4 s ALA 95 N -0.34 2.75 -0.13 -0.72 0.00 -1.26 -4.77 121.76 117.29 3ku4 s ALA 95 Ca 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.22 3ku4 s ALA 95 Cb 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3ku4 s ALA 95 CO 0.00 0.38 0.31 1.41 0.00 0.00 0.00 175.76 177.86 3ku4 s MET 96 N -3.04 0.28 0.10 0.00 0.00 -1.26 -0.94 119.30 114.44 3ku4 s MET 96 Ca 0.25 0.64 0.05 0.00 0.00 0.00 0.00 55.69 56.63 3ku4 s MET 96 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 34.83 34.64 3ku4 s MET 96 CO 0.13 -0.16 -0.14 -0.06 0.00 0.00 0.00 175.02 174.80 3ku4 s PHE 97 N 1.32 1.28 -0.01 4.11 0.40 0.10 -0.38 117.98 124.81 3ku4 s PHE 97 Ca -0.09 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 3ku4 s PHE 97 Cb -0.10 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.75 3ku4 s PHE 97 CO -0.10 0.09 -0.03 0.21 0.70 0.00 0.00 175.22 176.09 3ku4 s LYS 98 N -2.33 0.32 -0.07 0.44 2.20 -1.26 -0.34 119.74 118.70 3ku4 s LYS 98 Ca 0.04 -0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 3ku4 s LYS 98 Cb -0.07 -0.36 0.04 0.00 -1.51 0.00 0.00 37.83 35.94 3ku4 s LYS 98 CO 0.02 0.01 0.13 0.54 -0.36 0.00 0.00 175.35 175.70 3ku4 s VAL 99 N 0.25 -0.21 0.00 4.02 0.11 -0.69 -4.97 120.40 118.91 3ku4 s VAL 99 Ca -0.02 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 3ku4 s VAL 99 Cb -0.05 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 3ku4 s VAL 99 CO -0.01 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 3ku4 n GLY 100 N 5.24 2.99 0.82 6.54 0.00 -1.26 -1.69 105.19 117.83 3ku4 n GLY 100 Ca -0.06 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 2.10 -4.47 1.61 -0.04 -1.26 -4.79 135.00 142.15 3ku4 n PRO 101 Ca 0.00 -1.02 -0.34 0.00 -0.04 0.00 0.00 63.50 62.10 3ku4 n PRO 101 Cb 0.00 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.62 3.46 -0.08 0.52 1.01 -0.68 -0.83 120.40 122.18 3ku4 s VAL 102 Ca 0.18 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3ku4 s VAL 102 Cb 0.12 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3ku4 s VAL 102 CO 0.07 0.49 -0.17 -0.22 0.00 0.00 0.00 175.10 175.28 3ku4 s LEU 103 N 0.55 2.53 -0.12 3.92 2.96 0.13 -1.71 118.68 126.95 3ku4 s LEU 103 Ca -0.05 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3ku4 s LEU 103 Cb -0.15 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3ku4 s LEU 103 CO 0.03 0.26 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.61 3ku4 s SER 104 N -0.22 2.54 -0.03 3.68 0.15 0.54 -0.71 113.70 119.64 3ku4 s SER 104 Ca -0.00 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.21 3ku4 s SER 104 Cb -0.13 -1.14 0.02 0.00 -1.71 0.00 0.00 66.02 63.06 3ku4 s SER 104 CO 0.03 0.02 -0.04 -0.69 1.20 0.00 0.00 173.24 173.76 3ku4 s VAL 105 N 1.01 0.43 0.33 4.45 1.01 -0.46 0.02 120.40 127.20 3ku4 s VAL 105 Ca -0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 3ku4 s VAL 105 Cb -0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3ku4 s VAL 105 CO -0.02 0.19 0.74 -0.94 0.00 0.00 0.00 175.10 175.07 3ku4 s SER 106 N 0.78 6.76 0.00 3.32 1.04 -0.11 -2.27 113.70 123.22 3ku4 s SER 106 Ca -0.10 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.61 3ku4 s SER 106 Cb -0.13 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3ku4 s SER 106 CO -0.00 -0.22 0.34 0.00 0.98 0.00 0.00 173.24 174.34 3ku4 n HIS 107 N -0.42 0.00 -0.43 5.02 1.44 0.60 -4.27 115.22 117.15 3ku4 n HIS 107 Ca 0.04 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.79 3ku4 n HIS 107 Cb 0.53 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 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 0.20 -2.17 3.79 -1.39 0.00 -0.28 -3.24 105.19 102.09 3ku4 n GLY 108 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 3ku4 n GLY 108 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ku4 s MET 109 N -1.27 3.14 0.00 1.61 0.23 -1.26 -4.62 119.30 117.12 3ku4 s MET 109 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 55.69 54.26 3ku4 s MET 109 Cb 0.00 -2.92 0.00 0.00 -1.53 0.00 0.00 34.83 30.38 3ku4 s MET 109 CO 0.00 0.68 0.00 0.41 -2.03 0.00 0.00 175.02 174.08 3ku4 n GLY 110 N 1.45 1.65 0.37 3.16 0.00 -1.26 -4.33 105.19 106.23 3ku4 n GLY 110 Ca -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 0.05 -0.80 1.61 2.07 -1.88 -1.94 116.25 115.37 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 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 3ku4 h VAL 111 CO 0.00 0.00 0.53 -0.65 0.02 0.00 0.00 177.57 177.47 3ku4 h PRO 112 N -0.05 1.04 -0.12 1.57 0.11 -1.94 0.39 132.00 133.01 3ku4 h PRO 112 Ca 0.31 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 3ku4 h PRO 112 Cb 0.58 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 3ku4 h PRO 112 CO -0.89 0.69 -0.04 1.03 -0.21 0.00 0.00 178.00 178.58 3ku4 h SER 113 N 1.08 0.23 -0.03 -2.05 0.87 -1.60 -3.08 113.55 108.97 3ku4 h SER 113 Ca 0.29 -0.38 -0.11 0.00 -1.23 0.00 0.00 61.79 60.36 3ku4 h SER 113 Cb -0.12 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3ku4 h SER 113 CO -0.07 0.56 -0.33 -0.29 -0.53 0.00 0.00 176.83 176.18 3ku4 h ILE 114 N -0.10 1.28 -0.96 2.23 6.09 -1.08 -2.80 117.51 122.17 3ku4 h ILE 114 Ca 0.03 -1.42 0.01 0.00 -1.37 0.00 0.00 64.86 62.11 3ku4 h ILE 114 Cb 0.46 1.46 -0.05 0.00 0.47 0.00 0.00 36.82 39.16 3ku4 h ILE 114 CO 0.01 0.45 0.63 0.00 -3.07 0.00 0.00 178.15 176.17 3ku4 h ALA 115 N 1.22 1.22 -0.10 0.18 0.00 -0.95 -0.30 119.26 120.53 3ku4 h ALA 115 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ku4 h ALA 115 Cb 0.78 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ku4 h ALA 115 CO 0.06 0.60 -0.04 0.82 0.00 0.00 0.00 179.25 180.69 3ku4 h ILE 116 N 1.29 1.31 -0.56 0.00 2.04 -1.43 -1.91 117.51 118.26 3ku4 h ILE 116 Ca 0.35 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.26 3ku4 h ILE 116 Cb -0.13 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3ku4 h ILE 116 CO -0.08 0.29 0.27 -0.03 0.00 0.00 0.00 178.15 178.60 3ku4 h MET 117 N -0.14 0.50 -0.69 2.37 4.05 -1.25 -2.50 114.93 117.28 3ku4 h MET 117 Ca 0.02 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3ku4 h MET 117 Cb 0.47 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 3ku4 h MET 117 CO 0.01 0.33 0.31 -0.07 0.23 0.00 0.00 176.91 177.72 3ku4 h LEU 118 N 0.52 0.92 -0.44 3.39 3.38 -0.93 0.17 115.31 122.32 3ku4 h LEU 118 Ca 0.25 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3ku4 h LEU 118 Cb 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3ku4 h LEU 118 CO -0.19 0.81 0.16 0.45 0.09 0.00 0.00 178.44 179.76 3ku4 h HIS 119 N 0.96 0.27 -0.05 1.13 3.86 -1.09 0.10 115.15 120.34 3ku4 h HIS 119 Ca 0.23 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.26 3ku4 h HIS 119 Cb 0.16 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 3ku4 h HIS 119 CO 0.01 0.10 -0.82 0.93 0.86 0.00 0.00 177.93 179.01 3ku4 h GLU 120 N 0.32 0.40 -0.26 2.45 5.08 -1.02 -2.45 114.58 119.11 3ku4 h GLU 120 Ca 0.21 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3ku4 h GLU 120 Cb 0.20 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ku4 h GLU 120 CO -0.21 1.03 -0.04 1.25 -1.00 0.00 0.00 179.01 180.03 3ku4 h LEU 121 N 0.25 0.48 -1.00 1.33 5.85 -0.49 -1.10 115.31 120.63 3ku4 h LEU 121 Ca -0.05 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3ku4 h LEU 121 Cb 1.42 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 3ku4 h LEU 121 CO 0.14 0.71 0.42 0.40 -0.34 0.00 0.00 178.44 179.77 3ku4 h ILE 122 N 0.24 1.24 -0.57 4.05 2.04 -0.98 -0.70 117.51 122.83 3ku4 h ILE 122 Ca 0.07 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 3ku4 h ILE 122 Cb 0.49 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ku4 h ILE 122 CO 0.02 0.28 -0.02 0.11 0.00 0.00 0.00 178.15 178.54 3ku4 h LYS 123 N 1.12 0.99 -0.44 2.37 1.57 -1.37 -1.44 116.57 119.37 3ku4 h LYS 123 Ca 0.28 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3ku4 h LYS 123 Cb 0.06 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 3ku4 h LYS 123 CO -0.04 0.99 0.16 1.25 -0.57 0.00 0.00 179.45 181.24 3ku4 h LEU 124 N 0.91 0.17 -0.94 2.94 6.46 -0.68 -0.24 115.31 123.94 3ku4 h LEU 124 Ca 0.16 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.87 3ku4 h LEU 124 Cb 0.55 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 3ku4 h LEU 124 CO 0.03 0.13 -0.29 -0.07 -0.62 0.00 0.00 178.44 177.62 3ku4 h LEU 125 N 0.33 0.44 -0.18 2.25 3.38 -0.82 -1.97 115.31 118.74 3ku4 h LEU 125 Ca 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ku4 h LEU 125 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ku4 h LEU 125 CO -0.21 0.72 0.01 0.22 0.09 0.00 0.00 178.44 179.27 3ku4 h TYR 126 N 0.38 0.33 0.00 1.13 5.03 -0.89 -1.69 116.97 121.26 3ku4 h TYR 126 Ca 0.05 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 3ku4 h TYR 126 Cb 0.70 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 3ku4 h TYR 126 CO 0.02 0.50 -0.07 0.45 -1.32 0.00 0.00 178.16 177.74 3ku4 h HIS 127 N 0.07 0.00 -0.00 -3.82 3.86 -0.83 -1.87 115.15 112.55 3ku4 h HIS 127 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3ku4 h HIS 127 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3ku4 h HIS 127 CO 0.03 0.07 -0.28 0.00 0.86 0.00 0.00 177.93 178.61 3ku4 n ALA 128 N -2.16 3.10 -3.43 2.45 0.00 -0.76 -3.82 120.51 115.89 3ku4 n ALA 128 Ca -0.01 -0.33 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 3ku4 n ALA 128 Cb 0.27 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.05 -2.59 -1.97 0.00 -0.00 -0.70 -4.01 115.22 104.89 3ku4 n HIS 129 Ca 0.10 0.86 -0.34 0.00 -0.00 0.00 0.00 57.72 58.34 3ku4 n HIS 129 Cb 0.33 -4.85 0.03 0.00 -0.00 0.00 0.00 29.99 25.50 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 -2.13 0.64 -1.34 0.00 1.04 -1.26 -1.45 113.70 109.20 3ku4 s SER 131 Ca 0.71 -0.66 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 3ku4 s SER 131 Cb -0.23 0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.99 3ku4 s SER 131 CO 0.35 -0.33 0.73 0.61 0.98 0.00 0.00 173.24 175.58 3ku4 n GLY 132 N 1.11 -0.31 3.87 7.32 0.00 -0.74 -4.83 105.19 111.61 3ku4 n GLY 132 Ca -0.20 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.63 4.92 -0.07 1.61 1.01 -1.26 -4.85 120.40 118.12 3ku4 s VAL 133 Ca 0.08 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3ku4 s VAL 133 Cb -0.04 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3ku4 s VAL 133 CO 0.82 -0.09 -0.20 -0.89 0.00 0.00 0.00 175.10 174.74 3ku4 s THR 134 N -1.84 1.70 -0.15 3.92 2.01 -0.51 -4.29 115.64 116.48 3ku4 s THR 134 Ca 0.48 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 3ku4 s THR 134 Cb -0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3ku4 s THR 134 CO 0.21 0.48 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.83 3ku4 s LEU 135 N 0.30 3.25 -0.08 4.42 1.02 -0.34 -0.76 118.68 126.49 3ku4 s LEU 135 Ca -0.13 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 53.90 3ku4 s LEU 135 Cb -0.16 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.30 3ku4 s LEU 135 CO 0.06 0.18 -0.06 -0.63 0.02 0.00 0.00 176.35 175.92 3ku4 s ILE 136 N 0.33 0.77 -0.08 -0.59 1.01 0.18 -1.10 121.20 121.73 3ku4 s ILE 136 Ca -0.04 -0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 3ku4 s ILE 136 Cb -0.14 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3ku4 s ILE 136 CO 0.03 0.31 0.58 -0.60 0.00 0.00 0.00 174.94 175.26 3ku4 s ARG 137 N 1.45 4.37 0.12 2.79 3.52 -0.13 -1.09 118.95 129.97 3ku4 s ARG 137 Ca -0.01 0.67 0.10 0.00 -0.13 0.00 0.00 55.73 56.35 3ku4 s ARG 137 Cb -0.13 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3ku4 s ARG 137 CO -0.04 0.17 -0.24 0.96 -0.81 0.00 0.00 175.30 175.34 3ku4 s ILE 138 N 0.52 2.46 -0.71 4.11 -0.00 0.14 -0.02 121.20 127.71 3ku4 s ILE 138 Ca 0.31 -1.64 0.00 0.00 -0.00 0.00 0.00 60.65 59.32 3ku4 s ILE 138 Cb -0.17 -2.10 0.00 0.00 -0.00 0.00 0.00 42.46 40.20 3ku4 s ILE 138 CO 0.15 0.11 0.00 0.61 -0.00 0.00 0.00 174.94 175.81 3ku4 n GLY 139 N 0.94 -0.62 3.74 6.27 0.00 -1.08 -4.30 105.19 110.14 3ku4 n GLY 139 Ca -0.17 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 3ku4 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ku4 s THR 140 N -3.00 2.92 0.12 2.61 2.01 -1.26 -1.79 115.64 117.25 3ku4 s THR 140 Ca 0.00 -1.67 -0.24 0.00 0.31 0.00 0.00 61.69 60.08 3ku4 s THR 140 Cb 0.00 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.60 3ku4 s THR 140 CO 0.00 -0.15 0.69 -0.94 -0.69 0.00 0.00 174.62 173.53 3ku4 s SER 141 N -3.87 -0.49 -0.05 3.53 1.04 0.04 -4.82 113.70 109.08 3ku4 s SER 141 Ca 0.39 -0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.52 3ku4 s SER 141 Cb -0.02 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 3ku4 s SER 141 CO 0.23 -0.90 0.78 -0.83 0.98 0.00 0.00 173.24 173.50 3ku4 s GLY 142 N -2.69 2.69 0.37 7.32 0.00 -0.22 -1.75 107.32 113.04 3ku4 s GLY 142 Ca 0.03 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.92 3ku4 s GLY 142 CO -0.11 1.32 0.67 -0.32 0.00 0.00 0.00 173.10 174.67 3ku4 s GLY 143 N 0.86 1.79 -0.24 0.20 0.00 -0.15 0.74 107.32 110.52 3ku4 s GLY 143 Ca 0.41 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3ku4 s GLY 143 CO 0.21 -0.30 -0.03 -0.42 0.00 0.00 0.00 173.10 172.56 3ku4 s ILE 144 N -2.32 1.49 -0.31 0.90 1.01 0.30 -0.77 121.20 121.49 3ku4 s ILE 144 Ca 0.47 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3ku4 s ILE 144 Cb -0.10 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.56 3ku4 s ILE 144 CO 0.33 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3ku4 n GLY 145 N 4.67 0.61 3.27 6.18 0.00 -1.26 -4.65 105.19 114.01 3ku4 n GLY 145 Ca -0.10 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.67 2.27 0.51 0.99 1.43 -1.26 -5.12 118.68 116.82 3ku4 s LEU 146 Ca 0.00 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 3ku4 s LEU 146 Cb 0.00 -0.89 -0.06 0.00 0.03 0.00 0.00 46.19 45.27 3ku4 s LEU 146 CO 0.00 0.08 1.39 -1.83 0.23 0.00 0.00 176.35 176.22 3ku4 s GLU 147 N -1.72 3.34 0.44 1.70 -1.05 -1.26 -4.33 118.70 115.82 3ku4 s GLU 147 Ca 0.06 2.31 -0.24 0.00 -0.15 0.00 0.00 54.97 56.95 3ku4 s GLU 147 Cb -0.10 -2.41 -0.10 0.00 -0.44 0.00 0.00 34.13 31.09 3ku4 s GLU 147 CO 0.04 -1.06 1.15 -2.30 0.95 0.00 0.00 175.26 174.04 3ku4 n PRO 148 N -0.71 1.62 -0.32 -4.83 -0.02 -1.26 -2.32 135.00 127.16 3ku4 n PRO 148 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3ku4 n PRO 148 Cb 0.44 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.99 0.91 3.77 -1.23 0.00 0.07 -4.98 105.19 104.72 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 -2.97 6.59 -0.11 1.61 0.01 -0.98 -4.69 113.70 113.16 3ku4 s SER 150 Ca 0.00 2.22 -0.04 0.00 1.31 0.00 0.00 55.95 59.43 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 -0.62 0.06 -0.69 0.41 0.00 0.00 173.24 172.41 3ku4 s VAL 151 N -1.52 4.85 -0.15 3.43 1.01 -0.07 -0.45 120.40 127.50 3ku4 s VAL 151 Ca 0.58 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.52 3ku4 s VAL 151 Cb -0.27 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3ku4 s VAL 151 CO 0.34 0.60 -0.16 -0.69 0.00 0.00 0.00 175.10 175.18 3ku4 s VAL 152 N -0.84 2.56 -0.28 2.92 1.01 0.97 -0.76 120.40 125.96 3ku4 s VAL 152 Ca 0.13 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 3ku4 s VAL 152 Cb -0.12 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3ku4 s VAL 152 CO 0.03 0.52 0.42 -0.63 0.00 0.00 0.00 175.10 175.44 3ku4 s ILE 153 N 0.82 5.13 -0.15 2.22 1.01 -0.02 -2.06 121.20 128.15 3ku4 s ILE 153 Ca -0.05 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3ku4 s ILE 153 Cb -0.15 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3ku4 s ILE 153 CO -0.01 0.07 1.09 -0.89 0.00 0.00 0.00 174.94 175.20 3ku4 s THR 154 N 2.16 4.58 -0.17 2.92 2.01 -0.63 -2.16 115.64 124.35 3ku4 s THR 154 Ca 0.17 1.88 -0.21 0.00 0.31 0.00 0.00 61.69 63.84 3ku4 s THR 154 Cb -0.16 -4.21 -0.22 0.00 0.01 0.00 0.00 72.50 67.92 3ku4 s THR 154 CO 0.10 -0.08 0.40 -0.09 -0.69 0.00 0.00 174.62 174.26 3ku4 h ARG 155 N 7.44 0.06 -3.99 4.92 2.43 -1.50 -3.42 114.38 120.33 3ku4 h ARG 155 Ca -0.27 -0.10 -0.46 0.00 -0.81 0.00 0.00 59.98 58.34 3ku4 h ARG 155 Cb 1.11 0.04 -0.36 0.00 -0.42 0.00 0.00 29.97 30.34 3ku4 h ARG 155 CO 0.92 1.05 -0.78 -0.65 -1.51 0.00 0.00 179.97 178.99 3ku4 s GLN 156 N -2.36 0.99 0.31 0.20 -0.21 -1.26 -1.66 119.66 115.67 3ku4 s GLN 156 Ca -0.25 -0.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.76 3ku4 s GLN 156 Cb 0.04 -1.13 -0.10 0.00 1.00 0.00 0.00 33.01 32.82 3ku4 s GLN 156 CO 0.65 -0.21 1.21 0.00 -2.12 0.00 0.00 175.29 174.82 3ku4 s ALA 157 N 1.52 3.45 0.02 6.09 0.00 -0.67 -1.80 121.76 130.36 3ku4 s ALA 157 Ca -0.01 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3ku4 s ALA 157 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3ku4 s ALA 157 CO -0.04 -0.42 -0.03 0.54 0.00 0.00 0.00 175.76 175.82 3ku4 s VAL 158 N -1.16 0.13 0.89 0.00 0.11 0.22 -4.32 120.40 116.27 3ku4 s VAL 158 Ca 0.47 -0.63 -0.13 0.00 -2.93 0.00 0.00 61.98 58.77 3ku4 s VAL 158 Cb -0.36 -0.22 0.16 0.00 -1.53 0.00 0.00 36.38 34.43 3ku4 s VAL 158 CO 0.47 -0.31 1.24 1.51 -3.33 0.00 0.00 175.10 174.67 3ku4 s ASP 159 N -0.98 3.62 0.00 3.54 3.84 0.39 -0.88 116.67 126.19 3ku4 s ASP 159 Ca -0.10 0.28 0.14 0.00 -0.00 0.00 0.00 52.55 52.87 3ku4 s ASP 159 Cb -0.07 -0.48 0.65 0.00 -1.38 0.00 0.00 42.92 41.64 3ku4 s ASP 159 CO -0.01 -2.41 1.40 -2.65 -0.00 0.00 0.00 175.17 171.50 3ku4 n PRO 160 N -3.52 0.12 -0.33 2.11 -0.02 -1.26 -0.18 135.00 131.92 3ku4 n PRO 160 Ca 0.14 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3ku4 n PRO 160 Cb 0.60 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.88 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 1.62 0.00 -3.57 0.00 0.99 0.74 -5.04 117.46 112.20 3ku4 n PHE 162 Ca 0.23 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.31 3ku4 n PHE 162 Cb 0.62 -0.47 -0.06 0.00 -1.00 0.00 0.00 39.48 38.57 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 -1.17 3.81 -1.19 -1.08 1.02 -1.26 -4.74 119.74 115.14 3ku4 s LYS 163 Ca 0.00 0.28 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 3ku4 s LYS 163 Cb 0.00 -3.17 -0.12 0.00 -0.52 0.00 0.00 37.83 34.02 3ku4 s LYS 163 CO 0.00 0.68 2.94 -0.35 -0.92 0.00 0.00 175.35 177.69 3ku4 n PRO 164 N 1.65 3.09 -3.94 -1.68 -0.04 -1.26 -0.46 135.00 132.36 3ku4 n PRO 164 Ca -0.14 -1.83 -0.09 0.00 -0.04 0.00 0.00 63.50 61.40 3ku4 n PRO 164 Cb 0.53 -2.58 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 3ku4 n PRO 164 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3ku4 s GLU 165 N 2.13 0.54 -0.18 0.54 -1.05 -1.26 -1.55 118.70 117.87 3ku4 s GLU 165 Ca 0.64 -0.72 0.01 0.00 -0.15 0.00 0.00 54.97 54.74 3ku4 s GLU 165 Cb 0.19 0.21 0.02 0.00 -0.44 0.00 0.00 34.13 34.11 3ku4 s GLU 165 CO -0.04 -0.13 -0.19 0.12 0.95 0.00 0.00 175.26 175.97 3ku4 s PHE 166 N -2.40 2.79 -0.03 4.83 2.19 0.10 -4.25 117.98 121.21 3ku4 s PHE 166 Ca -0.07 -1.58 -0.13 0.00 0.33 0.00 0.00 56.93 55.48 3ku4 s PHE 166 Cb -0.02 -1.93 -0.05 0.00 -1.31 0.00 0.00 43.02 39.70 3ku4 s PHE 166 CO -0.04 -0.78 0.34 -2.00 1.83 0.00 0.00 175.22 174.57 3ku4 s GLU 167 N 1.29 3.79 0.15 10.12 2.12 -1.26 -1.65 118.70 133.27 3ku4 s GLU 167 Ca 0.05 0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.57 3ku4 s GLU 167 Cb -0.13 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 3ku4 s GLU 167 CO -0.12 0.72 0.26 1.14 -0.54 0.00 0.00 175.26 176.71 3ku4 s GLN 168 N -1.07 1.10 -0.19 4.30 -2.07 0.02 -4.99 119.66 116.76 3ku4 s GLN 168 Ca 0.21 -1.17 -0.04 0.00 -1.82 0.00 0.00 55.36 52.55 3ku4 s GLN 168 Cb -0.15 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.11 3ku4 s GLN 168 CO 0.11 -0.39 -0.04 0.42 -1.32 0.00 0.00 175.29 174.07 3ku4 s ILE 169 N -3.96 3.63 -0.41 3.63 1.01 -1.26 0.76 121.20 124.60 3ku4 s ILE 169 Ca 0.16 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3ku4 s ILE 169 Cb 0.04 -2.63 0.11 0.00 0.01 0.00 0.00 42.46 40.00 3ku4 s ILE 169 CO -0.01 0.45 0.15 -0.69 0.00 0.00 0.00 174.94 174.84 3ku4 s VAL 170 N 0.99 2.12 0.00 2.92 1.01 -0.10 -4.69 120.40 122.65 3ku4 s VAL 170 Ca 0.01 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 59.38 3ku4 s VAL 170 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3ku4 s VAL 170 CO 0.01 -0.72 0.00 0.18 0.00 0.00 0.00 175.10 174.57 3ku4 n LEU 171 N 3.83 -0.60 0.00 3.92 4.77 -1.26 -3.52 117.00 124.14 3ku4 n LEU 171 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ku4 n LEU 171 Cb 0.38 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ku4 n LEU 171 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3ku4 n GLY 172 N -1.71 0.68 3.52 -0.72 0.00 -1.26 -5.06 105.19 100.65 3ku4 n GLY 172 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.74 3.32 0.07 1.61 -0.14 -1.23 -5.07 119.74 117.56 3ku4 s LYS 173 Ca 0.00 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 53.77 3ku4 s LYS 173 Cb 0.00 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.29 3ku4 s LYS 173 CO 0.00 0.40 1.64 1.03 -0.76 0.00 0.00 175.35 177.66 3ku4 s ARG 174 N -0.08 4.20 0.16 1.68 3.00 -1.26 -0.92 118.95 125.73 3ku4 s ARG 174 Ca 0.01 2.32 0.10 0.00 0.00 0.00 0.00 55.73 58.17 3ku4 s ARG 174 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.20 3ku4 s ARG 174 CO 0.03 -0.73 -0.20 -1.21 0.00 0.00 0.00 175.30 173.19 3ku4 s GLU 175 N 2.57 1.66 -0.01 3.54 2.02 0.23 -4.94 118.70 123.77 3ku4 s GLU 175 Ca 0.73 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 54.38 3ku4 s GLU 175 Cb -0.40 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 31.86 3ku4 s GLU 175 CO 0.32 0.43 -0.04 0.08 0.02 0.00 0.00 175.26 176.08 3ku4 s VAL 176 N -1.44 0.35 0.00 2.63 1.01 -1.26 -0.80 120.40 120.89 3ku4 s VAL 176 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3ku4 s VAL 176 Cb -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3ku4 s VAL 176 CO 0.10 0.12 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 3ku4 s ARG 177 N 0.12 0.54 0.32 2.72 0.52 -0.66 -4.96 118.95 117.56 3ku4 s ARG 177 Ca -0.01 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 3ku4 s ARG 177 Cb -0.04 -0.50 -0.10 0.00 0.52 0.00 0.00 34.95 34.82 3ku4 s ARG 177 CO -0.00 0.13 1.20 1.21 0.02 0.00 0.00 175.30 177.86 3ku4 s ASN 178 N -0.34 6.96 -0.23 0.23 2.47 -1.26 -0.73 114.94 122.04 3ku4 s ASN 178 Ca 0.01 2.47 0.10 0.00 0.42 0.00 0.00 52.86 55.86 3ku4 s ASN 178 Cb -0.04 -2.64 0.43 0.00 -1.45 0.00 0.00 41.25 37.56 3ku4 s ASN 178 CO -0.00 -0.38 1.23 0.35 -3.72 0.00 0.00 177.10 174.58 3ku4 n THR 179 N 0.88 2.28 -2.36 -5.21 -2.24 -0.60 -4.22 114.28 102.82 3ku4 n THR 179 Ca -0.00 -3.36 -0.36 0.00 -2.27 0.00 0.00 64.05 58.06 3ku4 n THR 179 Cb 0.44 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 -3.24 6.26 0.22 3.42 1.11 -1.26 -1.68 116.67 121.50 3ku4 s ASP 180 Ca 0.40 2.18 0.07 0.00 0.18 0.00 0.00 52.55 55.38 3ku4 s ASP 180 Cb 0.38 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 3ku4 s ASP 180 CO -0.05 -0.84 0.14 -0.76 1.18 0.00 0.00 175.17 174.84 3ku4 s LEU 181 N -3.10 3.71 -0.17 1.23 1.43 -0.66 -4.91 118.68 116.21 3ku4 s LEU 181 Ca 0.64 -0.26 -0.34 0.00 -1.03 0.00 0.00 54.13 53.14 3ku4 s LEU 181 Cb -0.25 -2.28 -0.11 0.00 0.03 0.00 0.00 46.19 43.59 3ku4 s LEU 181 CO 0.30 0.01 1.99 -0.67 0.23 0.00 0.00 176.35 178.21 3ku4 n ASP 182 N -0.83 3.10 -0.15 2.29 -0.08 -1.21 -4.88 116.55 114.78 3ku4 n ASP 182 Ca -0.08 0.75 -0.08 0.00 -1.51 0.00 0.00 54.79 53.87 3ku4 n ASP 182 Cb 0.57 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.67 3ku4 n ASP 182 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3ku4 h GLU 183 N 10.61 0.66 -0.84 -0.67 4.57 -1.93 -2.04 114.58 124.95 3ku4 h GLU 183 Ca -0.43 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3ku4 h GLU 183 Cb 1.28 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 3ku4 h GLU 183 CO 0.97 0.59 0.53 1.96 -1.18 0.00 0.00 179.01 181.88 3ku4 h GLN 184 N 0.59 1.12 -0.79 1.92 7.50 -2.00 -2.31 115.11 121.13 3ku4 h GLN 184 Ca 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 58.65 59.19 3ku4 h GLN 184 Cb 0.16 -0.24 -0.04 0.00 0.05 0.00 0.00 27.48 27.40 3ku4 h GLN 184 CO -0.02 0.76 0.39 1.25 -1.50 0.00 0.00 178.83 179.71 3ku4 h LEU 185 N 1.14 1.03 -0.43 1.46 6.46 -1.89 -1.32 115.31 121.76 3ku4 h LEU 185 Ca 0.30 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3ku4 h LEU 185 Cb -0.10 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.55 3ku4 h LEU 185 CO -0.06 0.87 0.25 -0.37 -0.62 0.00 0.00 178.44 178.51 3ku4 h VAL 186 N 1.12 1.15 -0.77 1.05 -1.51 -0.85 -0.96 116.25 115.48 3ku4 h VAL 186 Ca 0.27 -0.36 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3ku4 h VAL 186 Cb 0.11 0.61 -0.04 0.00 -2.13 0.00 0.00 31.29 29.84 3ku4 h VAL 186 CO -0.04 0.15 0.47 -0.61 -1.23 0.00 0.00 177.57 176.31 3ku4 h GLN 187 N 0.57 1.04 -0.09 5.19 5.75 -1.17 -0.32 115.11 126.08 3ku4 h GLN 187 Ca 0.15 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3ku4 h GLN 187 Cb 0.03 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3ku4 h GLN 187 CO -0.03 0.73 -0.08 0.93 -2.65 0.00 0.00 178.83 177.73 3ku4 h GLU 188 N 1.05 -0.10 -0.50 1.69 5.08 -0.96 0.23 114.58 121.07 3ku4 h GLU 188 Ca 0.28 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 3ku4 h GLU 188 Cb -0.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3ku4 h GLU 188 CO -0.05 -0.07 0.26 -0.07 -1.00 0.00 0.00 179.01 178.09 3ku4 h LEU 189 N -0.10 0.40 -0.18 1.33 4.07 -0.86 0.25 115.31 120.21 3ku4 h LEU 189 Ca 0.07 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.09 3ku4 h LEU 189 Cb 0.20 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3ku4 h LEU 189 CO -0.16 0.28 -0.09 0.00 -1.08 0.00 0.00 178.44 177.39 3ku4 h ALA 190 N 1.25 0.07 -0.91 1.53 0.00 -0.67 0.29 119.26 120.83 3ku4 h ALA 190 Ca 0.21 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3ku4 h ALA 190 Cb 0.10 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3ku4 h ALA 190 CO -0.13 -0.52 0.58 -0.09 0.00 0.00 0.00 179.25 179.09 3ku4 h ARG 191 N -0.07 1.07 -0.51 0.00 2.43 -0.62 -0.43 114.38 116.25 3ku4 h ARG 191 Ca 0.10 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3ku4 h ARG 191 Cb 0.22 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3ku4 h ARG 191 CO -0.23 0.71 0.17 0.00 -1.51 0.00 0.00 179.97 179.11 3ku4 h SER 193 N 0.69 0.78 -0.90 0.00 0.87 -0.25 -2.22 113.55 112.52 3ku4 h SER 193 Ca 0.16 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3ku4 h SER 193 Cb 0.25 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 3ku4 h SER 193 CO -0.01 0.72 0.54 0.00 -0.53 0.00 0.00 176.83 177.55 3ku4 h ALA 194 N 1.40 1.15 -0.79 6.23 0.00 -0.76 -1.77 119.26 124.72 3ku4 h ALA 194 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ku4 h ALA 194 Cb 0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ku4 h ALA 194 CO -0.02 0.61 0.33 0.93 0.00 0.00 0.00 179.25 181.10 3ku4 h GLU 195 N 1.24 1.17 -0.47 0.00 5.08 -0.80 -3.09 114.58 117.71 3ku4 h GLU 195 Ca 0.32 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3ku4 h GLU 195 Cb -0.05 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3ku4 h GLU 195 CO -0.06 0.93 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.80 3ku4 h LEU 196 N 1.14 0.82 0.26 1.33 3.38 -1.05 -3.47 115.31 117.73 3ku4 h LEU 196 Ca 0.27 -0.31 -0.41 0.00 0.09 0.00 0.00 57.88 57.51 3ku4 h LEU 196 Cb 0.19 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 40.76 3ku4 h LEU 196 CO -0.02 0.94 -0.64 0.61 0.09 0.00 0.00 178.44 179.42 3ku4 n GLY 197 N -0.36 -0.52 0.03 0.83 0.00 -0.70 -4.89 105.19 99.57 3ku4 n GLY 197 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.29 0.87 -3.48 1.61 1.02 -1.26 -5.06 120.64 110.05 3ku4 n GLU 198 Ca -0.05 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.86 3ku4 n GLU 198 Cb 0.58 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.60 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 -2.82 -0.53 0.18 -0.32 -0.71 -1.26 -5.14 117.98 107.38 3ku4 s PHE 199 Ca -0.06 0.60 -0.31 0.00 -1.04 0.00 0.00 56.93 56.12 3ku4 s PHE 199 Cb 0.08 0.50 -0.10 0.00 -1.21 0.00 0.00 43.02 42.28 3ku4 s PHE 199 CO 0.62 -0.67 1.55 -2.14 -1.34 0.00 0.00 175.22 173.24 3ku4 s PRO 200 N -2.53 4.22 -0.06 1.99 0.02 -1.26 -4.92 135.00 132.46 3ku4 s PRO 200 Ca -0.03 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3ku4 s PRO 200 Cb -0.01 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.39 3ku4 s PRO 200 CO -0.03 -0.58 -0.04 0.99 -0.33 0.00 0.00 177.00 177.01 3ku4 s THR 201 N 0.94 0.55 0.06 0.99 2.01 -1.26 -0.89 115.64 118.04 3ku4 s THR 201 Ca 0.68 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.65 3ku4 s THR 201 Cb -0.44 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 3ku4 s THR 201 CO 0.33 0.25 -0.15 0.68 -0.69 0.00 0.00 174.62 175.04 3ku4 s VAL 202 N 1.21 1.18 -0.11 3.82 -7.23 0.06 -4.97 120.40 114.36 3ku4 s VAL 202 Ca -0.06 -1.23 -0.14 0.00 -1.81 0.00 0.00 61.98 58.73 3ku4 s VAL 202 Cb -0.14 -1.11 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 3ku4 s VAL 202 CO -0.02 -0.13 0.33 0.54 -0.31 0.00 0.00 175.10 175.51 3ku4 s VAL 203 N -1.12 5.24 0.34 1.32 0.11 -1.26 -0.84 120.40 124.19 3ku4 s VAL 203 Ca 0.00 0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 59.51 3ku4 s VAL 203 Cb -0.09 -3.65 0.04 0.00 -1.53 0.00 0.00 36.38 31.15 3ku4 s VAL 203 CO 0.02 0.45 0.76 -0.83 -3.33 0.00 0.00 175.10 172.17 3ku4 s GLY 204 N -0.03 0.19 0.47 6.54 0.00 -0.92 -4.94 107.32 108.62 3ku4 s GLY 204 Ca 0.19 -0.58 -0.10 0.00 0.00 0.00 0.00 44.72 44.24 3ku4 s GLY 204 CO 0.07 -0.22 0.84 -1.31 0.00 0.00 0.00 173.10 172.48 3ku4 s ASN 205 N -3.01 6.43 -0.16 1.64 0.01 -0.36 -1.16 114.94 118.32 3ku4 s ASN 205 Ca 0.14 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.47 3ku4 s ASN 205 Cb -0.05 -2.35 0.03 0.00 0.41 0.00 0.00 41.25 39.29 3ku4 s ASN 205 CO 0.10 -0.54 -0.10 -0.89 -1.51 0.00 0.00 177.10 174.16 3ku4 s THR 206 N -2.61 1.41 -0.02 1.60 2.01 -0.75 -1.20 115.64 116.07 3ku4 s THR 206 Ca 0.52 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 3ku4 s THR 206 Cb -0.10 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3ku4 s THR 206 CO 0.38 0.28 0.87 -0.32 -0.69 0.00 0.00 174.62 175.14 3ku4 s MET 207 N 1.52 4.52 -0.23 4.92 1.75 -0.40 -0.61 119.30 130.78 3ku4 s MET 207 Ca 0.02 1.21 -0.05 0.00 -1.25 0.00 0.00 55.69 55.62 3ku4 s MET 207 Cb -0.14 -3.45 -0.02 0.00 2.84 0.00 0.00 34.83 34.06 3ku4 s MET 207 CO -0.09 0.00 0.01 0.00 -0.65 0.00 0.00 175.02 174.29 3ku4 s THR 209 N 1.51 4.53 -0.04 0.00 -4.23 -0.63 -4.26 115.64 112.51 3ku4 s THR 209 Ca 0.06 -1.10 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 3ku4 s THR 209 Cb -0.15 -3.33 -0.32 0.00 1.34 0.00 0.00 72.50 70.05 3ku4 s THR 209 CO -0.00 -0.14 0.85 0.25 -0.54 0.00 0.00 174.62 175.04 3ku4 h LEU 210 N 2.29 0.54 -9.52 4.79 5.85 -1.90 -3.41 115.31 113.96 3ku4 h LEU 210 Ca -0.48 -0.93 -0.65 0.00 0.84 0.00 0.00 57.88 56.66 3ku4 h LEU 210 Cb 1.20 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.95 3ku4 h LEU 210 CO 0.63 1.52 -0.64 -0.62 -0.34 0.00 0.00 178.44 178.99 3ku4 s ASP 211 N -7.12 5.22 -0.04 1.25 2.15 -1.26 -4.85 116.67 112.02 3ku4 s ASP 211 Ca -0.14 -0.09 -0.02 0.00 0.43 0.00 0.00 52.55 52.73 3ku4 s ASP 211 Cb 0.02 -1.32 -0.01 0.00 -0.30 0.00 0.00 42.92 41.31 3ku4 s ASP 211 CO 0.84 0.19 -0.04 0.15 -0.17 0.00 0.00 175.17 176.14 3ku4 h PHE 212 N 3.52 0.00 0.43 -5.34 -0.00 -1.91 -3.26 116.94 110.38 3ku4 h PHE 212 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.47 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 -0.21 1.88 -0.00 0.00 0.00 178.31 180.59 3ku4 h TYR 213 N -0.35 -0.53 0.05 0.41 -1.99 -1.97 -2.31 116.97 110.29 3ku4 h TYR 213 Ca 0.00 -0.01 -0.31 0.00 2.00 0.00 0.00 58.73 60.41 3ku4 h TYR 213 Cb 0.12 0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 3ku4 h TYR 213 CO -0.05 -0.26 -1.73 0.93 -0.00 0.00 0.00 178.16 177.05 3ku4 h GLU 214 N -0.71 0.11 0.00 4.88 5.08 -1.86 -0.97 114.58 121.11 3ku4 h GLU 214 Ca -0.06 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3ku4 h GLU 214 Cb 0.51 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3ku4 h GLU 214 CO 0.10 0.79 -0.03 0.78 -1.00 0.00 0.00 179.01 179.65 3ku4 h GLY 215 N 2.59 0.00 -0.71 -3.84 0.00 -1.63 -2.32 103.07 97.16 3ku4 h GLY 215 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3ku4 h GLY 215 CO 0.10 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.58 3ku4 n GLN 216 N -3.30 2.84 -2.44 4.80 6.02 -0.87 -4.86 117.38 119.57 3ku4 n GLN 216 Ca -0.02 -1.92 -0.12 0.00 -0.01 0.00 0.00 57.00 54.93 3ku4 n GLN 216 Cb 0.16 -1.22 0.01 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.08 -0.07 3.81 1.08 0.00 -0.87 -5.01 105.19 104.04 3ku4 n GLY 217 Ca 0.08 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.87 3.81 -0.07 1.61 0.52 -0.37 -4.84 118.95 114.75 3ku4 s ARG 218 Ca 0.08 1.23 0.17 0.00 -0.52 0.00 0.00 55.73 56.69 3ku4 s ARG 218 Cb -0.03 -2.10 0.59 0.00 0.52 0.00 0.00 34.95 33.92 3ku4 s ARG 218 CO 0.10 -0.40 1.50 1.28 0.02 0.00 0.00 175.30 177.79 3ku4 n LEU 219 N -1.18 4.07 -0.36 2.53 4.77 -1.26 -4.54 117.00 121.03 3ku4 n LEU 219 Ca 0.08 -2.32 0.09 0.00 -0.03 0.00 0.00 56.01 53.84 3ku4 n LEU 219 Cb 0.53 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.32 3ku4 n LEU 219 CO 0.41 0.82 0.60 -0.90 -1.33 0.00 0.00 177.39 176.99 3ku4 n ASP 220 N 0.90 2.75 -3.68 -1.43 3.85 -1.26 -5.03 116.55 112.65 3ku4 n ASP 220 Ca 0.22 -3.13 -0.17 0.00 -0.71 0.00 0.00 54.79 50.99 3ku4 n ASP 220 Cb 0.73 -0.47 0.10 0.00 -1.35 0.00 0.00 41.12 40.12 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 -1.16 0.15 0.23 6.12 0.00 -1.26 -4.98 105.19 104.29 3ku4 n GLY 221 Ca 0.18 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.89 1.00 -4.13 4.61 0.00 -1.99 -3.44 119.26 114.42 3ku4 h ALA 222 Ca -0.25 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.14 3ku4 h ALA 222 Cb 0.85 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.37 3ku4 h ALA 222 CO 0.24 0.00 -0.82 -0.51 0.00 0.00 0.00 179.25 178.16 3ku4 s LEU 223 N -6.11 2.08 -0.21 0.00 1.02 -1.26 -5.15 118.68 109.05 3ku4 s LEU 223 Ca 0.05 -0.37 -0.15 0.00 0.02 0.00 0.00 54.13 53.69 3ku4 s LEU 223 Cb 0.07 -0.81 0.06 0.00 0.02 0.00 0.00 46.19 45.53 3ku4 s LEU 223 CO 0.62 0.16 0.54 0.00 0.02 0.00 0.00 176.35 177.69 3ku4 n SER 225 N 3.68 1.33 -3.45 0.00 3.41 -1.26 -5.08 113.62 112.25 3ku4 n SER 225 Ca -0.18 -2.89 -0.08 0.00 -0.26 0.00 0.00 58.87 55.45 3ku4 n SER 225 Cb 0.57 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.64 0.05 0.42 7.33 1.13 -1.26 -5.18 117.35 118.22 3ku4 s TYR 226 Ca 0.31 -0.58 0.07 0.00 -1.41 0.00 0.00 57.07 55.46 3ku4 s TYR 226 Cb 0.32 0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 41.81 3ku4 s TYR 226 CO -0.09 -1.35 0.17 0.95 -2.51 0.00 0.00 175.55 172.73 3ku4 s THR 227 N -3.21 2.19 0.26 -3.49 -4.23 -1.26 -5.01 115.64 100.89 3ku4 s THR 227 Ca 0.15 -1.72 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3ku4 s THR 227 Cb -0.05 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 71.13 3ku4 s THR 227 CO 0.10 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 175.98 3ku4 h GLU 228 N 1.41 1.12 -0.71 3.99 4.57 -1.99 -1.32 114.58 121.66 3ku4 h GLU 228 Ca -0.43 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 57.63 3ku4 h GLU 228 Cb 1.26 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 3ku4 h GLU 228 CO 0.70 0.74 0.22 0.87 -1.18 0.00 0.00 179.01 180.37 3ku4 h LYS 229 N 1.16 1.10 -0.36 1.92 1.57 -1.99 -0.06 116.57 119.91 3ku4 h LYS 229 Ca 0.41 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3ku4 h LYS 229 Cb 0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3ku4 h LYS 229 CO -0.16 0.94 0.15 -0.44 -0.57 0.00 0.00 179.45 179.38 3ku4 h ASP 230 N 1.04 0.20 0.07 0.86 3.32 -1.83 -1.64 116.42 118.44 3ku4 h ASP 230 Ca 0.23 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3ku4 h ASP 230 Cb 0.30 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ku4 h ASP 230 CO -0.01 0.15 -0.03 0.50 -1.72 0.00 0.00 179.24 178.13 3ku4 h LYS 231 N 0.32 -0.09 -0.89 3.56 3.64 -0.77 -1.89 116.57 120.46 3ku4 h LYS 231 Ca 0.16 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3ku4 h LYS 231 Cb 0.10 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3ku4 h LYS 231 CO -0.14 -0.02 0.55 1.96 -2.27 0.00 0.00 179.45 179.53 3ku4 h GLN 232 N -0.13 1.19 -0.55 1.90 1.08 -0.98 0.45 115.11 118.08 3ku4 h GLN 232 Ca -0.01 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3ku4 h GLN 232 Cb 0.11 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3ku4 h GLN 232 CO 0.01 0.82 0.33 0.22 -0.95 0.00 0.00 178.83 179.27 3ku4 h ASP 233 N 1.22 0.65 -0.61 1.46 3.58 -1.14 0.78 116.42 122.36 3ku4 h ASP 233 Ca 0.32 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 3ku4 h ASP 233 Cb -0.07 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 3ku4 h ASP 233 CO -0.06 0.51 0.23 0.22 -2.88 0.00 0.00 179.24 177.27 3ku4 h TYR 234 N 0.74 0.95 -0.36 0.28 3.20 -0.50 -0.86 116.97 120.42 3ku4 h TYR 234 Ca 0.20 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 3ku4 h TYR 234 Cb -0.02 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 3ku4 h TYR 234 CO -0.03 0.76 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.95 3ku4 h LEU 235 N 0.86 0.72 -0.70 2.82 3.38 -0.62 -0.46 115.31 121.33 3ku4 h LEU 235 Ca 0.20 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3ku4 h LEU 235 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3ku4 h LEU 235 CO -0.01 0.94 0.02 0.03 0.09 0.00 0.00 178.44 179.50 3ku4 h ARG 236 N 0.62 1.03 -0.72 1.13 3.08 -0.72 -1.03 114.38 117.76 3ku4 h ARG 236 Ca 0.09 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 3ku4 h ARG 236 Cb 0.72 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3ku4 h ARG 236 CO 0.06 0.99 0.21 0.00 -1.07 0.00 0.00 179.97 180.16 3ku4 h ALA 237 N 1.06 0.95 -0.43 0.04 0.00 -0.79 -1.82 119.26 118.28 3ku4 h ALA 237 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ku4 h ALA 237 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ku4 h ALA 237 CO 0.03 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.16 3ku4 h ALA 238 N 1.10 0.55 -0.77 0.00 0.00 -0.86 -2.22 119.26 117.06 3ku4 h ALA 238 Ca 0.23 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3ku4 h ALA 238 Cb 0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3ku4 h ALA 238 CO -0.00 0.07 0.48 -0.92 0.00 0.00 0.00 179.25 178.88 3ku4 h TYR 239 N 0.56 0.90 0.00 0.00 3.20 -0.94 -1.09 116.97 119.60 3ku4 h TYR 239 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3ku4 h TYR 239 Cb 0.05 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 3ku4 h TYR 239 CO -0.02 0.49 -0.13 0.00 -1.64 0.00 0.00 178.16 176.85 3ku4 h ALA 240 N 1.35 1.09 -0.18 1.82 0.00 -1.14 -0.30 119.26 121.90 3ku4 h ALA 240 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ku4 h ALA 240 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ku4 h ALA 240 CO -0.14 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3ku4 n ALA 241 N -2.20 2.48 -0.59 0.00 0.00 -0.52 -4.90 120.51 114.79 3ku4 n ALA 241 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ku4 n ALA 241 Cb 0.33 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.84 0.72 3.73 0.00 0.00 -0.12 -4.95 105.19 105.41 3ku4 n GLY 242 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.19 4.70 -0.09 -0.61 1.01 -0.60 -1.22 121.20 122.21 3ku4 s ILE 243 Ca 0.00 1.90 0.03 0.00 0.00 0.00 0.00 60.65 62.58 3ku4 s ILE 243 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3ku4 s ILE 243 CO 0.00 0.28 0.10 0.54 0.00 0.00 0.00 174.94 175.86 3ku4 n ARG 244 N 3.17 4.64 -3.63 2.79 5.12 -0.34 -4.02 116.66 124.39 3ku4 n ARG 244 Ca 0.02 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.83 3ku4 n ARG 244 Cb 0.50 -0.73 -0.04 0.00 -1.16 0.00 0.00 32.46 31.03 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 -1.51 -0.30 -0.07 0.55 4.22 -1.23 -0.54 114.94 116.07 3ku4 s ASN 245 Ca 0.00 -0.32 0.02 0.00 -2.14 0.00 0.00 52.86 50.42 3ku4 s ASN 245 Cb 0.02 0.53 0.01 0.00 1.28 0.00 0.00 41.25 43.10 3ku4 s ASN 245 CO 0.11 -0.94 -0.11 -0.63 -2.04 0.00 0.00 177.10 173.48 3ku4 s ILE 246 N -3.82 1.07 0.00 0.54 -1.09 0.23 -1.27 121.20 116.86 3ku4 s ILE 246 Ca 0.05 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3ku4 s ILE 246 Cb 0.00 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.89 3ku4 s ILE 246 CO -0.09 0.34 0.00 -1.84 -1.23 0.00 0.00 174.94 172.13 3ku4 n GLU 247 N 3.92 0.00 -0.09 2.79 -0.00 -0.52 -1.05 120.64 125.69 3ku4 n GLU 247 Ca -0.22 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 56.96 3ku4 n GLU 247 Cb 0.51 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.98 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 1.36 0.00 3.44 2.81 -1.26 -1.61 117.12 121.86 3ku4 n MET 248 Ca 0.00 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.53 3ku4 n MET 248 Cb 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 -0.47 1.27 -0.32 0.03 4.71 -1.26 -3.34 120.64 121.26 3ku4 n GLU 249 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.14 3ku4 n GLU 249 Cb 0.47 -0.11 0.08 0.00 -1.01 0.00 0.00 31.44 30.87 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 1.12 0.40 0.62 0.00 -1.94 -2.99 119.26 116.47 3ku4 h ALA 250 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ku4 h ALA 250 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3ku4 h ALA 250 CO 0.00 0.63 -0.29 0.77 0.00 0.00 0.00 179.25 180.36 3ku4 h SER 251 N 1.22 -0.75 -0.99 0.00 0.02 -1.90 -1.63 113.55 109.52 3ku4 h SER 251 Ca 0.31 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.32 3ku4 h SER 251 Cb 0.04 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3ku4 h SER 251 CO -0.05 -0.44 0.65 0.58 -1.14 0.00 0.00 176.83 176.44 3ku4 h VAL 252 N -0.68 1.26 0.27 2.27 2.07 -1.95 0.19 116.25 119.69 3ku4 h VAL 252 Ca -0.04 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3ku4 h VAL 252 Cb 0.58 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3ku4 h VAL 252 CO 0.01 0.25 -0.22 0.15 0.02 0.00 0.00 177.57 177.78 3ku4 h PHE 253 N 1.35 -0.59 -0.33 1.57 3.57 -1.36 -0.41 116.94 120.74 3ku4 h PHE 253 Ca 0.36 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 3ku4 h PHE 253 Cb -0.15 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3ku4 h PHE 253 CO -0.00 -0.34 0.17 0.00 -2.23 0.00 0.00 178.31 175.91 3ku4 h ALA 254 N 0.16 0.43 -0.61 2.41 0.00 -1.09 -1.54 119.26 119.02 3ku4 h ALA 254 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ku4 h ALA 254 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ku4 h ALA 254 CO -0.02 -0.02 0.37 0.00 0.00 0.00 0.00 179.25 179.57 3ku4 h ALA 255 N 1.03 0.79 -0.11 0.00 0.00 -0.84 -0.10 119.26 120.03 3ku4 h ALA 255 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3ku4 h ALA 255 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ku4 h ALA 255 CO -0.02 0.10 -0.77 0.52 0.00 0.00 0.00 179.25 179.09 3ku4 h MET 256 N 0.72 0.58 -0.50 0.00 2.07 -0.95 -0.53 114.93 116.33 3ku4 h MET 256 Ca 0.25 -0.48 -0.10 0.00 -2.07 0.00 0.00 59.70 57.30 3ku4 h MET 256 Cb 0.03 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 3ku4 h MET 256 CO -0.11 1.10 -0.07 0.00 1.07 0.00 0.00 176.91 178.90 3ku4 h ASN 258 N 0.79 0.90 -0.63 0.00 2.35 -0.95 0.35 115.58 118.39 3ku4 h ASN 258 Ca 0.13 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3ku4 h ASN 258 Cb 0.62 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3ku4 h ASN 258 CO 0.04 0.76 0.42 0.00 -1.65 0.00 0.00 177.43 177.00 3ku4 h ALA 259 N 1.18 1.65 -0.66 -0.83 0.00 -0.94 -2.01 119.26 117.65 3ku4 h ALA 259 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ku4 h ALA 259 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ku4 h ALA 259 CO -0.04 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3ku4 n GLY 261 N 1.57 0.28 3.76 0.00 0.00 -0.60 -4.65 105.19 105.55 3ku4 n GLY 261 Ca 0.22 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.64 4.37 -0.09 0.99 1.43 0.11 -5.00 118.68 115.86 3ku4 s LEU 262 Ca 0.00 0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 3ku4 s LEU 262 Cb 0.00 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3ku4 s LEU 262 CO 0.00 0.12 1.29 -0.13 0.23 0.00 0.00 176.35 177.86 3ku4 s ARG 263 N -0.08 4.28 0.04 1.70 0.52 -1.26 -4.39 118.95 119.76 3ku4 s ARG 263 Ca 0.27 1.75 -0.06 0.00 -0.52 0.00 0.00 55.73 57.16 3ku4 s ARG 263 Cb -0.16 -3.67 -0.01 0.00 0.52 0.00 0.00 34.95 31.63 3ku4 s ARG 263 CO 0.13 -0.60 0.12 0.00 0.02 0.00 0.00 175.30 174.97 3ku4 s ALA 264 N 2.87 -0.14 0.04 2.13 0.00 -1.26 -1.20 121.76 124.20 3ku4 s ALA 264 Ca 0.58 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 3ku4 s ALA 264 Cb -0.25 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3ku4 s ALA 264 CO 0.20 -0.32 0.03 0.00 0.00 0.00 0.00 175.76 175.67 3ku4 s ALA 265 N -2.55 0.14 -0.10 0.00 0.00 -0.25 -3.32 121.76 115.68 3ku4 s ALA 265 Ca -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3ku4 s ALA 265 Cb -0.01 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3ku4 s ALA 265 CO -0.04 -0.29 -0.21 0.08 0.00 0.00 0.00 175.76 175.30 3ku4 s VAL 266 N -2.66 1.83 -0.28 0.00 1.01 -1.26 -0.96 120.40 118.07 3ku4 s VAL 266 Ca -0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3ku4 s VAL 266 Cb -0.01 -1.60 0.09 0.00 0.00 0.00 0.00 36.38 34.86 3ku4 s VAL 266 CO -0.05 0.51 0.06 -0.69 0.00 0.00 0.00 175.10 174.93 3ku4 s VAL 267 N 0.49 0.97 -0.02 2.92 1.01 0.97 -1.60 120.40 125.13 3ku4 s VAL 267 Ca -0.16 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.62 3ku4 s VAL 267 Cb -0.17 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3ku4 s VAL 267 CO 0.06 -0.50 -0.22 0.00 0.00 0.00 0.00 175.10 174.43 3ku4 s VAL 269 N -0.43 4.75 0.09 0.00 0.11 -0.74 -0.02 120.40 124.15 3ku4 s VAL 269 Ca 0.06 0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 59.91 3ku4 s VAL 269 Cb -0.10 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 30.96 3ku4 s VAL 269 CO -0.00 0.12 0.48 0.42 -3.33 0.00 0.00 175.10 172.78 3ku4 s THR 270 N -1.62 4.95 -0.89 5.04 -4.23 0.40 -0.78 115.64 118.52 3ku4 s THR 270 Ca 0.43 0.76 0.17 0.00 -1.18 0.00 0.00 61.69 61.87 3ku4 s THR 270 Cb -0.14 -3.72 -0.16 0.00 1.34 0.00 0.00 72.50 69.82 3ku4 s THR 270 CO 0.20 0.36 0.74 0.18 -0.54 0.00 0.00 174.62 175.55 3ku4 n LEU 271 N 1.14 0.90 -3.60 4.79 4.77 -0.72 -0.75 117.00 123.53 3ku4 n LEU 271 Ca -0.08 -0.53 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 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 0.70 -1.48 -1.33 0.00 0.00 177.39 175.91 3ku4 s LEU 272 N -2.73 -0.29 -0.43 2.23 2.34 -1.26 -4.76 118.68 113.78 3ku4 s LEU 272 Ca 0.07 -0.16 -0.12 0.00 0.06 0.00 0.00 54.13 53.99 3ku4 s LEU 272 Cb 0.13 2.08 0.07 0.00 -0.56 0.00 0.00 46.19 47.91 3ku4 s LEU 272 CO 0.67 -0.73 0.30 0.21 -1.06 0.00 0.00 176.35 175.74 3ku4 s ASN 273 N -2.67 5.83 0.42 1.48 3.84 -1.26 -0.98 114.94 121.61 3ku4 s ASN 273 Ca 0.08 -1.38 0.29 0.00 0.21 0.00 0.00 52.86 52.06 3ku4 s ASN 273 Cb -0.01 -2.06 1.41 0.00 -0.55 0.00 0.00 41.25 40.03 3ku4 s ASN 273 CO -0.05 -0.56 1.89 0.03 -2.79 0.00 0.00 177.10 175.62 3ku4 h ARG 274 N 8.54 0.00 0.00 0.43 2.47 -1.11 -0.17 114.38 124.53 3ku4 h ARG 274 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3ku4 h ARG 274 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 3ku4 h ARG 274 CO 0.79 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 181.25 3ku4 h LEU 275 N 0.00 0.00 -2.30 3.04 3.38 -1.94 -1.47 115.31 116.02 3ku4 h LEU 275 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ku4 h LEU 275 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ku4 h LEU 275 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3ku4 n GLU 276 N -2.31 2.48 0.00 1.13 1.02 -0.08 -5.07 120.64 117.81 3ku4 n GLU 276 Ca 0.01 -2.26 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 3ku4 n GLU 276 Cb 0.16 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.51 0.61 1.15 0.62 0.00 -0.56 -4.78 105.19 103.74 3ku4 n GLY 277 Ca 0.20 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 3.59 -4.73 1.61 8.00 -1.26 -4.15 116.55 119.60 3ku4 n ASP 278 Ca 0.00 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 3ku4 n ASP 278 Cb 0.00 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 3ku4 n ASP 278 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3ku4 s GLN 279 N -1.14 4.43 -0.53 -1.24 0.74 -1.26 -4.98 119.66 115.67 3ku4 s GLN 279 Ca 0.41 1.94 -0.16 0.00 0.05 0.00 0.00 55.36 57.59 3ku4 s GLN 279 Cb 0.22 -3.25 0.11 0.00 1.10 0.00 0.00 33.01 31.20 3ku4 s GLN 279 CO 0.29 -0.22 0.50 0.42 -0.55 0.00 0.00 175.29 175.74 3ku4 s ILE 280 N 0.37 5.17 -0.87 -2.34 1.01 -1.26 -4.90 121.20 118.38 3ku4 s ILE 280 Ca 0.57 -1.34 0.25 0.00 0.00 0.00 0.00 60.65 60.12 3ku4 s ILE 280 Cb -0.34 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 37.83 3ku4 s ILE 280 CO 0.35 -0.84 1.37 -1.20 0.00 0.00 0.00 174.94 174.62 3ku4 n SER 281 N 5.37 0.55 -4.73 3.58 7.64 -1.26 -4.92 113.62 119.85 3ku4 n SER 281 Ca -0.13 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.20 3ku4 n SER 281 Cb 0.41 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 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 -3.40 6.76 0.55 6.43 0.01 -1.26 -4.97 113.70 117.82 3ku4 s SER 282 Ca 0.09 2.52 -0.20 0.00 1.31 0.00 0.00 55.95 59.67 3ku4 s SER 282 Cb 0.16 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.72 3ku4 s SER 282 CO 0.71 -0.65 0.99 -2.65 0.41 0.00 0.00 173.24 172.05 3ku4 n PRO 283 N 2.88 1.06 -0.30 12.44 -0.02 -1.26 -4.70 135.00 145.09 3ku4 n PRO 283 Ca 0.08 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 62.11 3ku4 n PRO 283 Cb 0.41 -2.16 0.39 0.00 -0.02 0.00 0.00 33.50 32.13 3ku4 n PRO 283 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ku4 h HIS 284 N 0.80 0.85 -0.86 6.00 2.76 -1.99 -0.95 115.15 121.76 3ku4 h HIS 284 Ca -0.48 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 3ku4 h HIS 284 Cb 1.35 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 30.01 3ku4 h HIS 284 CO 0.39 0.23 0.47 -0.44 -1.30 0.00 0.00 177.93 177.28 3ku4 h ASP 285 N 0.65 1.07 0.00 3.26 3.32 -1.98 0.29 116.42 123.03 3ku4 h ASP 285 Ca 0.52 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ku4 h ASP 285 Cb 0.94 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3ku4 h ASP 285 CO -0.27 0.86 -0.00 0.58 -1.72 0.00 0.00 179.24 178.69 3ku4 h VAL 286 N 1.20 1.18 -0.98 -1.35 2.07 -1.56 -0.98 116.25 115.83 3ku4 h VAL 286 Ca 0.30 -0.55 0.14 0.00 0.82 0.00 0.00 66.70 67.41 3ku4 h VAL 286 Cb 0.03 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 3ku4 h VAL 286 CO -0.05 0.14 0.62 -0.07 0.02 0.00 0.00 177.57 178.23 3ku4 h LEU 287 N -0.24 0.85 -0.60 2.57 3.38 -0.93 0.19 115.31 120.52 3ku4 h LEU 287 Ca -0.00 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3ku4 h LEU 287 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ku4 h LEU 287 CO 0.00 0.42 -0.30 0.00 0.09 0.00 0.00 178.44 178.65 3ku4 h ALA 288 N 1.57 0.79 -0.39 1.53 0.00 -0.13 -0.43 119.26 122.20 3ku4 h ALA 288 Ca 0.50 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ku4 h ALA 288 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ku4 h ALA 288 CO -0.28 0.65 0.21 1.49 0.00 0.00 0.00 179.25 181.33 3ku4 h GLU 289 N 0.66 0.54 -0.49 0.00 4.57 -0.26 -3.02 114.58 116.58 3ku4 h GLU 289 Ca 0.07 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 3ku4 h GLU 289 Cb 0.84 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.25 3ku4 h GLU 289 CO 0.07 0.44 0.11 1.88 -1.18 0.00 0.00 179.01 180.33 3ku4 h TYR 290 N 0.50 0.18 -1.06 0.92 0.99 -0.40 -2.21 116.97 115.89 3ku4 h TYR 290 Ca 0.14 0.03 0.29 0.00 2.00 0.00 0.00 58.73 61.18 3ku4 h TYR 290 Cb 0.06 -0.01 -0.07 0.00 1.00 0.00 0.00 36.73 37.71 3ku4 h TYR 290 CO -0.03 0.01 0.72 1.96 -0.00 0.00 0.00 178.16 180.82 3ku4 h GLN 291 N 0.25 0.22 0.00 4.88 1.08 -0.96 -0.09 115.11 120.49 3ku4 h GLN 291 Ca 0.25 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3ku4 h GLN 291 Cb 0.32 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3ku4 h GLN 291 CO -0.31 0.15 -0.24 1.04 -0.95 0.00 0.00 178.83 178.52 3ku4 n GLN 292 N -4.45 0.23 -0.19 1.46 6.02 -0.84 -4.25 117.38 115.37 3ku4 n GLN 292 Ca 0.24 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 57.30 3ku4 n GLN 292 Cb 0.99 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 30.55 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 0.80 -0.78 -1.09 3.08 -1.01 -0.10 114.38 115.27 3ku4 h ARG 293 Ca 0.00 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3ku4 h ARG 293 Cb 0.71 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 3ku4 h ARG 293 CO 0.00 0.69 0.47 -1.35 -1.07 0.00 0.00 179.97 178.71 3ku4 h PRO 294 N 0.73 1.06 -0.60 0.04 0.11 -1.75 -1.35 132.00 130.25 3ku4 h PRO 294 Ca 0.18 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 66.21 3ku4 h PRO 294 Cb 0.18 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3ku4 h PRO 294 CO -0.02 0.75 0.38 0.37 -0.21 0.00 0.00 178.00 179.28 3ku4 h GLN 295 N 1.07 0.75 -0.49 1.05 4.15 -1.68 -0.33 115.11 119.63 3ku4 h GLN 295 Ca 0.28 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.54 3ku4 h GLN 295 Cb -0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3ku4 h GLN 295 CO -0.05 0.49 -0.14 0.00 -1.93 0.00 0.00 178.83 177.20 3ku4 h ARG 296 N 0.77 0.93 -0.15 1.69 3.08 -0.72 0.47 114.38 120.44 3ku4 h ARG 296 Ca 0.23 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3ku4 h ARG 296 Cb -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3ku4 h ARG 296 CO -0.08 1.00 -0.08 1.25 -1.07 0.00 0.00 179.97 181.00 3ku4 h LEU 297 N 0.82 0.33 -0.58 3.04 5.85 -0.98 -2.22 115.31 121.57 3ku4 h LEU 297 Ca 0.13 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.31 3ku4 h LEU 297 Cb 0.68 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3ku4 h LEU 297 CO 0.05 0.68 -0.14 0.58 -0.34 0.00 0.00 178.44 179.27 3ku4 h VAL 298 N -0.01 1.27 -0.81 1.05 2.07 -1.04 -1.37 116.25 117.40 3ku4 h VAL 298 Ca 0.03 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.32 3ku4 h VAL 298 Cb 0.56 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3ku4 h VAL 298 CO 0.02 0.45 0.50 1.23 0.02 0.00 0.00 177.57 179.79 3ku4 h GLY 299 N 0.93 1.21 1.39 2.17 0.00 -0.90 -1.26 103.07 106.60 3ku4 h GLY 299 Ca 0.13 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 3ku4 h GLY 299 CO 0.05 0.25 -0.59 0.06 0.00 0.00 0.00 176.54 176.31 3ku4 h GLN 300 N 0.91 0.64 -0.50 4.80 3.07 -1.10 -0.82 115.11 122.11 3ku4 h GLN 300 Ca 0.35 -0.43 0.04 0.00 0.09 0.00 0.00 58.65 58.71 3ku4 h GLN 300 Cb 0.16 0.06 -0.04 0.00 0.08 0.00 0.00 27.48 27.73 3ku4 h GLN 300 CO -0.17 1.04 0.25 0.35 0.09 0.00 0.00 178.83 180.39 3ku4 h PHE 301 N 0.48 0.45 -0.07 0.06 3.57 -0.79 -1.47 116.94 119.16 3ku4 h PHE 301 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3ku4 h PHE 301 Cb 1.17 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 3ku4 h PHE 301 CO 0.06 0.22 -0.01 0.82 -2.23 0.00 0.00 178.31 177.16 3ku4 h ILE 302 N 0.48 1.28 -0.76 1.41 2.04 -0.99 -1.67 117.51 119.31 3ku4 h ILE 302 Ca 0.22 -0.89 0.14 0.00 1.00 0.00 0.00 64.86 65.32 3ku4 h ILE 302 Cb 0.13 1.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 3ku4 h ILE 302 CO -0.16 0.25 0.33 0.50 0.00 0.00 0.00 178.15 179.07 3ku4 h LYS 303 N -0.19 0.48 -0.34 2.37 3.64 -1.01 -1.30 116.57 120.21 3ku4 h LYS 303 Ca 0.02 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3ku4 h LYS 303 Cb 0.40 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3ku4 h LYS 303 CO 0.01 0.31 -0.45 0.87 -2.27 0.00 0.00 179.45 177.93 3ku4 h LYS 304 N 0.49 0.90 -0.17 1.90 1.57 -1.07 -2.70 116.57 117.49 3ku4 h LYS 304 Ca 0.41 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ku4 h LYS 304 Cb 0.59 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3ku4 h LYS 304 CO -0.38 1.15 0.06 0.00 -0.57 0.00 0.00 179.45 179.72 3ku4 h ARG 305 N 0.72 0.23 0.00 3.15 2.47 -0.56 -2.75 114.38 117.64 3ku4 h ARG 305 Ca 0.04 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3ku4 h ARG 305 Cb 1.04 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3ku4 h ARG 305 CO 0.10 0.20 -0.50 -0.07 0.56 0.00 0.00 179.97 180.27 3ku4 h LEU 306 N 0.24 0.00 -1.21 3.04 3.38 -1.08 -3.51 115.31 116.17 3ku4 h LEU 306 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ku4 h LEU 306 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ku4 h LEU 306 CO -0.01 0.02 0.00 0.23 0.09 0.00 0.00 178.44 178.77