#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ku4 s VAL 18 N 0.00 3.58 0.45 4.08 1.01 -0.61 -4.94 120.40 123.97 3ku4 s VAL 18 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.04 3ku4 s VAL 18 Cb 0.00 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3ku4 s VAL 18 CO 0.00 0.00 0.39 -1.10 0.00 0.00 0.00 175.10 174.39 3ku4 s GLN 19 N 2.36 2.42 -0.03 2.72 -0.21 -1.26 -4.63 119.66 121.03 3ku4 s GLN 19 Ca 0.65 -1.69 0.06 0.00 0.02 0.00 0.00 55.36 54.41 3ku4 s GLN 19 Cb -0.33 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.38 3ku4 s GLN 19 CO 0.28 -0.32 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.39 3ku4 s LEU 20 N -4.17 2.03 0.15 2.90 1.43 -1.26 -4.91 118.68 114.84 3ku4 s LEU 20 Ca 0.45 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3ku4 s LEU 20 Cb -0.02 -1.18 -0.10 0.00 0.03 0.00 0.00 46.19 44.92 3ku4 s LEU 20 CO 0.26 0.25 1.33 0.00 0.23 0.00 0.00 176.35 178.42 3ku4 s ASN 22 N -6.80 6.25 0.56 0.00 2.47 -1.26 -4.90 114.94 111.26 3ku4 s ASN 22 Ca -0.00 -0.61 0.37 0.00 0.42 0.00 0.00 52.86 53.03 3ku4 s ASN 22 Cb 0.10 -2.45 1.74 0.00 -1.45 0.00 0.00 41.25 39.19 3ku4 s ASN 22 CO 0.82 -1.42 2.10 -0.65 -3.72 0.00 0.00 177.10 174.22 3ku4 h PRO 23 N 9.53 0.00 0.00 0.43 0.11 -2.03 -2.66 132.00 137.38 3ku4 h PRO 23 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3ku4 h PRO 23 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3ku4 h PRO 23 CO 1.16 0.00 -0.17 0.45 -0.21 0.00 0.00 178.00 179.23 3ku4 h HIS 24 N 0.00 0.00 -0.19 0.65 3.86 -2.00 -2.99 115.15 114.49 3ku4 h HIS 24 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3ku4 h HIS 24 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3ku4 h HIS 24 CO 0.00 0.17 0.06 0.82 0.86 0.00 0.00 177.93 179.84 3ku4 h ILE 25 N 0.00 1.18 0.00 2.45 1.08 -1.87 -2.79 117.51 117.55 3ku4 h ILE 25 Ca -0.00 -0.55 -0.06 0.00 -0.39 0.00 0.00 64.86 63.86 3ku4 h ILE 25 Cb 0.58 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 3ku4 h ILE 25 CO 0.02 0.17 -0.28 0.00 -0.69 0.00 0.00 178.15 177.38 3ku4 h ALA 26 N 0.89 1.45 -0.01 1.87 0.00 -1.72 -2.63 119.26 119.11 3ku4 h ALA 26 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3ku4 h ALA 26 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ku4 h ALA 26 CO -0.00 0.35 -0.39 0.00 0.00 0.00 0.00 179.25 179.20 3ku4 h ALA 27 N 1.72 1.33 -2.77 0.00 0.00 -1.41 -3.44 119.26 114.69 3ku4 h ALA 27 Ca -0.00 -0.36 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 3ku4 h ALA 27 Cb 0.52 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ku4 h ALA 27 CO 0.04 0.50 0.47 -1.64 0.00 0.00 0.00 179.25 178.61 3ku4 s MET 28 N -4.15 4.64 0.35 0.00 1.00 -0.99 -4.95 119.30 115.20 3ku4 s MET 28 Ca -0.03 1.77 0.17 0.00 0.00 0.00 0.00 55.69 57.60 3ku4 s MET 28 Cb 0.14 -3.22 0.53 0.00 0.00 0.00 0.00 34.83 32.29 3ku4 s MET 28 CO 0.73 0.20 1.66 1.57 0.00 0.00 0.00 175.02 179.18 3ku4 h LYS 29 N 4.15 0.00 -4.05 2.03 2.10 -1.87 -3.44 116.57 115.50 3ku4 h LYS 29 Ca -0.46 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.86 3ku4 h LYS 29 Cb 1.21 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.23 3ku4 h LYS 29 CO 0.68 0.43 -0.75 -2.00 -2.00 0.00 0.00 179.45 175.81 3ku4 s GLU 30 N -3.46 0.40 -0.18 0.07 2.12 -1.26 -4.87 118.70 111.52 3ku4 s GLU 30 Ca 0.01 -0.08 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 3ku4 s GLU 30 Cb 0.10 -0.44 0.01 0.00 0.26 0.00 0.00 34.13 34.06 3ku4 s GLU 30 CO 0.70 0.01 -0.15 0.34 -0.54 0.00 0.00 175.26 175.62 3ku4 s ASP 31 N 0.34 3.57 -0.24 -1.70 2.15 -1.26 -4.99 116.67 114.54 3ku4 s ASP 31 Ca -0.03 -0.53 -0.05 0.00 0.43 0.00 0.00 52.55 52.36 3ku4 s ASP 31 Cb -0.07 -1.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.97 3ku4 s ASP 31 CO -0.01 0.02 0.01 -0.63 -0.17 0.00 0.00 175.17 174.39 3ku4 s ILE 32 N 1.20 3.75 -0.96 4.11 1.01 -1.26 -1.13 121.20 127.92 3ku4 s ILE 32 Ca 0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 3ku4 s ILE 32 Cb -0.14 -2.75 0.13 0.00 0.01 0.00 0.00 42.46 39.71 3ku4 s ILE 32 CO -0.07 0.36 1.17 -0.76 0.00 0.00 0.00 174.94 175.64 3ku4 s LEU 33 N 1.53 5.02 0.28 2.97 1.43 0.97 -4.89 118.68 125.99 3ku4 s LEU 33 Ca 0.06 -2.14 0.02 0.00 -1.03 0.00 0.00 54.13 51.03 3ku4 s LEU 33 Cb -0.15 -2.40 0.62 0.00 0.03 0.00 0.00 46.19 44.28 3ku4 s LEU 33 CO -0.00 -1.03 1.76 1.88 0.23 0.00 0.00 176.35 179.19 3ku4 h TYR 34 N 8.66 0.87 -0.01 0.29 0.05 -1.97 -1.06 116.97 123.80 3ku4 h TYR 34 Ca 0.18 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3ku4 h TYR 34 Cb 1.01 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.50 3ku4 h TYR 34 CO 1.16 0.19 -0.13 0.72 -1.05 0.00 0.00 178.16 179.05 3ku4 n HIS 35 N -4.84 0.00 0.55 4.88 8.25 -1.26 -3.18 115.22 119.62 3ku4 n HIS 35 Ca 0.20 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.72 3ku4 n HIS 35 Cb 0.49 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.52 0.00 -4.01 4.41 0.99 -0.46 -4.12 117.46 113.76 3ku4 n PHE 36 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.31 3ku4 n PHE 36 Cb 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.79 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 0.16 -2.31 -4.35 4.37 7.64 -0.86 -4.23 113.62 114.04 3ku4 n SER 37 Ca 0.06 -0.94 -0.28 0.00 1.01 0.00 0.00 58.87 58.72 3ku4 n SER 37 Cb 0.29 -3.24 -0.13 0.00 -1.01 0.00 0.00 64.21 60.12 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 -7.10 2.27 -0.01 -3.43 1.43 -1.14 -4.90 118.68 105.79 3ku4 s LEU 38 Ca 0.38 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3ku4 s LEU 38 Cb -0.20 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3ku4 s LEU 38 CO 0.88 0.17 0.12 -0.55 0.23 0.00 0.00 176.35 177.21 3ku4 s SER 39 N -1.76 0.01 0.51 2.29 0.15 -1.26 -0.02 113.70 113.61 3ku4 s SER 39 Ca 0.12 -0.13 0.20 0.00 0.70 0.00 0.00 55.95 56.84 3ku4 s SER 39 Cb -0.10 0.22 1.32 0.00 -1.71 0.00 0.00 66.02 65.75 3ku4 s SER 39 CO 0.04 -0.29 2.11 0.74 1.20 0.00 0.00 173.24 177.03 3ku4 h THR 40 N 4.44 0.87 0.00 6.45 2.02 -1.37 0.24 112.91 125.56 3ku4 h THR 40 Ca -0.30 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3ku4 h THR 40 Cb 1.20 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3ku4 h THR 40 CO 0.41 0.08 -0.62 0.77 0.37 0.00 0.00 175.52 176.53 3ku4 h SER 41 N 0.00 0.00 -0.00 4.18 4.64 -1.89 -3.36 113.55 117.12 3ku4 h SER 41 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3ku4 h SER 41 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3ku4 h SER 41 CO 0.01 0.07 -0.30 0.35 -0.87 0.00 0.00 176.83 176.09 3ku4 n THR 42 N -2.29 0.00 -4.18 2.95 -2.24 -0.91 -5.04 114.28 102.57 3ku4 n THR 42 Ca 0.03 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 3ku4 n THR 42 Cb 0.47 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.58 0.75 -0.68 4.78 4.02 0.78 -4.92 115.29 118.45 3ku4 s HIS 43 Ca 0.03 -0.31 -0.17 0.00 1.02 0.00 0.00 55.06 55.63 3ku4 s HIS 43 Cb 0.06 -0.46 0.14 0.00 -1.02 0.00 0.00 32.58 31.30 3ku4 s HIS 43 CO 0.27 -0.03 0.72 0.34 1.02 0.00 0.00 174.74 177.07 3ku4 s ASP 44 N -0.93 6.38 0.06 1.40 3.68 -1.26 -4.58 116.67 121.42 3ku4 s ASP 44 Ca -0.03 -1.92 -0.22 0.00 2.13 0.00 0.00 52.55 52.52 3ku4 s ASP 44 Cb -0.07 -2.27 -0.13 0.00 -1.45 0.00 0.00 42.92 39.01 3ku4 s ASP 44 CO 0.00 -0.91 1.50 -0.26 0.13 0.00 0.00 175.17 175.64 3ku4 h PHE 45 N 8.71 0.23 -0.79 -5.34 -1.00 -1.93 -0.13 116.94 116.69 3ku4 h PHE 45 Ca -0.14 -0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.70 3ku4 h PHE 45 Cb 1.07 -0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.50 3ku4 h PHE 45 CO 0.90 0.43 0.44 -1.35 -1.61 0.00 0.00 178.31 177.11 3ku4 h PRO 46 N -0.03 0.71 -0.11 1.51 0.11 -1.73 0.14 132.00 132.60 3ku4 h PRO 46 Ca 0.04 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 3ku4 h PRO 46 Cb 0.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3ku4 h PRO 46 CO 0.00 0.47 -0.48 0.00 -0.21 0.00 0.00 178.00 177.78 3ku4 h ALA 47 N 1.45 0.98 0.11 -0.75 0.00 -1.83 0.18 119.26 119.39 3ku4 h ALA 47 Ca 0.38 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 3ku4 h ALA 47 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ku4 h ALA 47 CO -0.25 0.65 -1.29 0.52 0.00 0.00 0.00 179.25 178.88 3ku4 h MET 48 N 0.22 0.23 0.00 0.00 2.86 -0.44 -3.42 114.93 114.38 3ku4 h MET 48 Ca 0.01 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3ku4 h MET 48 Cb 0.93 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3ku4 h MET 48 CO 0.08 1.16 0.00 1.19 1.06 0.00 0.00 176.91 180.39 3ku4 n PHE 49 N -3.48 0.00 -0.01 -0.22 3.01 -0.02 -4.88 117.46 111.87 3ku4 n PHE 49 Ca -0.09 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.59 3ku4 n PHE 49 Cb 1.02 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 41.21 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 -0.56 1.37 0.00 -0.64 0.26 103.07 103.50 3ku4 h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ku4 h GLY 50 CO 0.00 0.00 -0.03 2.09 0.00 0.00 0.00 176.54 178.60 3ku4 n ASP 51 N -4.02 1.62 -4.69 0.19 3.85 -1.26 -4.54 116.55 107.70 3ku4 n ASP 51 Ca 0.11 -1.49 -0.42 0.00 -0.71 0.00 0.00 54.79 52.27 3ku4 n ASP 51 Cb 0.72 0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 40.47 3ku4 n ASP 51 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3ku4 n VAL 52 N 0.22 0.34 -0.00 2.12 0.31 0.08 -4.40 118.33 116.99 3ku4 n VAL 52 Ca 0.18 -0.06 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 3ku4 n VAL 52 Cb 0.38 -2.12 -0.02 0.00 -0.91 0.00 0.00 33.84 31.18 3ku4 n VAL 52 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3ku4 n LYS 53 N 5.51 0.79 -4.19 5.55 4.76 0.06 -4.52 118.16 126.11 3ku4 n LYS 53 Ca 0.18 -0.02 -0.27 0.00 -2.87 0.00 0.00 58.31 55.34 3ku4 n LYS 53 Cb 0.37 -1.05 -0.17 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.13 1.59 -0.22 2.13 0.40 -0.77 -0.95 117.98 118.03 3ku4 s PHE 54 Ca -0.01 -0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 55.57 3ku4 s PHE 54 Cb 0.01 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.33 3ku4 s PHE 54 CO 0.09 -0.45 -0.11 0.08 0.70 0.00 0.00 175.22 175.54 3ku4 s VAL 55 N 1.27 2.67 -0.12 -0.44 1.01 -0.07 -0.50 120.40 124.22 3ku4 s VAL 55 Ca -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3ku4 s VAL 55 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3ku4 s VAL 55 CO -0.04 0.35 -0.00 0.00 0.00 0.00 0.00 175.10 175.41 3ku4 s VAL 57 N -0.25 1.19 0.12 0.00 -7.23 -0.05 -1.15 120.40 113.03 3ku4 s VAL 57 Ca 0.06 -1.60 -0.25 0.00 -1.81 0.00 0.00 61.98 58.37 3ku4 s VAL 57 Cb -0.12 -1.38 0.08 0.00 0.56 0.00 0.00 36.38 35.52 3ku4 s VAL 57 CO 0.02 -0.40 1.08 -0.83 -0.31 0.00 0.00 175.10 174.66 3ku4 s GLY 58 N -2.28 -0.15 0.03 2.32 0.00 -1.06 -0.82 107.32 105.36 3ku4 s GLY 58 Ca 0.05 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 3ku4 s GLY 58 CO 0.02 1.21 1.31 -1.33 0.00 0.00 0.00 173.10 174.31 3ku4 h GLY 59 N 2.00 -1.02 -4.77 0.20 0.00 -1.82 0.34 103.07 98.00 3ku4 h GLY 59 Ca -0.26 0.38 -0.64 0.00 0.00 0.00 0.00 47.33 46.81 3ku4 h GLY 59 CO 0.30 -0.37 -0.58 -1.35 0.00 0.00 0.00 176.54 174.54 3ku4 s SER 60 N -4.42 5.71 0.35 0.19 1.04 -1.26 -0.95 113.70 114.37 3ku4 s SER 60 Ca -0.16 0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.42 3ku4 s SER 60 Cb 0.02 -1.60 0.79 0.00 0.10 0.00 0.00 66.02 65.32 3ku4 s SER 60 CO 0.51 0.19 1.88 -0.65 0.98 0.00 0.00 173.24 176.15 3ku4 h PRO 61 N 3.42 0.70 -0.30 4.02 0.11 -1.94 -1.96 132.00 136.05 3ku4 h PRO 61 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3ku4 h PRO 61 Cb 1.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ku4 h PRO 61 CO 0.67 0.47 -0.09 0.66 -0.21 0.00 0.00 178.00 179.49 3ku4 h SER 62 N 0.73 0.61 -0.95 -2.05 4.64 -1.99 0.76 113.55 115.30 3ku4 h SER 62 Ca 0.43 -0.38 0.09 0.00 -0.47 0.00 0.00 61.79 61.47 3ku4 h SER 62 Cb 0.64 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 3ku4 h SER 62 CO -0.20 0.85 0.61 -0.09 -0.87 0.00 0.00 176.83 177.13 3ku4 h ARG 63 N 0.37 0.98 0.01 4.77 2.43 -1.89 -0.35 114.38 120.70 3ku4 h ARG 63 Ca 0.07 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.94 3ku4 h ARG 63 Cb 0.59 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3ku4 h ARG 63 CO 0.03 0.65 -1.28 0.52 -1.51 0.00 0.00 179.97 178.38 3ku4 h MET 64 N 1.01 0.03 -0.22 0.20 2.86 -0.93 -0.36 114.93 117.52 3ku4 h MET 64 Ca 0.44 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.88 3ku4 h MET 64 Cb 0.34 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3ku4 h MET 64 CO -0.19 0.85 -0.51 -0.22 1.06 0.00 0.00 176.91 177.90 3ku4 h LYS 65 N 0.01 0.61 -0.76 1.72 3.64 -0.76 -1.69 116.57 119.35 3ku4 h LYS 65 Ca -0.12 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 3ku4 h LYS 65 Cb 1.88 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 3ku4 h LYS 65 CO 0.12 0.97 0.28 0.00 -2.27 0.00 0.00 179.45 178.55 3ku4 h ALA 66 N 0.96 0.99 -0.26 5.00 0.00 -1.00 -1.19 119.26 123.75 3ku4 h ALA 66 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ku4 h ALA 66 Cb 1.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ku4 h ALA 66 CO 0.10 0.63 0.10 0.35 0.00 0.00 0.00 179.25 180.43 3ku4 h PHE 67 N 1.11 0.41 -0.69 0.00 3.04 -0.90 -1.83 116.94 118.08 3ku4 h PHE 67 Ca 0.25 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 3ku4 h PHE 67 Cb 0.25 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 3ku4 h PHE 67 CO 0.02 0.43 0.31 0.97 -2.02 0.00 0.00 178.31 178.03 3ku4 h ILE 68 N 0.27 1.24 -0.35 1.41 6.09 -1.03 -1.42 117.51 123.72 3ku4 h ILE 68 Ca 0.09 -0.69 0.03 0.00 -1.37 0.00 0.00 64.86 62.91 3ku4 h ILE 68 Cb 0.20 0.41 -0.03 0.00 0.47 0.00 0.00 36.82 37.87 3ku4 h ILE 68 CO -0.01 0.28 0.16 0.11 -3.07 0.00 0.00 178.15 175.63 3ku4 h LYS 69 N 0.97 0.32 -0.36 2.19 1.57 -1.17 0.35 116.57 120.45 3ku4 h LYS 69 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ku4 h LYS 69 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3ku4 h LYS 69 CO -0.03 0.21 0.22 -0.92 -0.57 0.00 0.00 179.45 178.37 3ku4 h TYR 70 N 0.33 0.46 -0.05 -1.35 3.20 -0.95 -2.62 116.97 115.99 3ku4 h TYR 70 Ca 0.15 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.81 3ku4 h TYR 70 Cb 0.08 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3ku4 h TYR 70 CO -0.11 0.32 -0.86 -0.39 -1.64 0.00 0.00 178.16 175.48 3ku4 h VAL 71 N 0.47 1.36 -0.32 1.81 -1.51 -1.09 -1.43 116.25 115.54 3ku4 h VAL 71 Ca 0.13 -2.25 0.07 0.00 -1.23 0.00 0.00 66.70 63.42 3ku4 h VAL 71 Cb -0.02 2.24 -0.08 0.00 -2.13 0.00 0.00 31.29 31.31 3ku4 h VAL 71 CO -0.03 0.68 -0.20 0.00 -1.23 0.00 0.00 177.57 176.79 3ku4 h ALA 72 N 0.74 0.01 -0.21 5.19 0.00 -0.88 0.16 119.26 124.27 3ku4 h ALA 72 Ca -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ku4 h ALA 72 Cb 1.48 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3ku4 h ALA 72 CO 0.16 -0.60 0.11 0.52 0.00 0.00 0.00 179.25 179.44 3ku4 h MET 73 N -0.17 0.30 0.00 0.00 2.07 -1.41 0.32 114.93 116.04 3ku4 h MET 73 Ca 0.16 -0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 3ku4 h MET 73 Cb 0.42 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 3ku4 h MET 73 CO -0.42 0.30 -0.17 0.93 1.07 0.00 0.00 176.91 178.62 3ku4 h GLU 74 N 0.22 0.00 -0.01 1.72 4.39 -0.81 -2.22 114.58 117.87 3ku4 h GLU 74 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3ku4 h GLU 74 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3ku4 h GLU 74 CO -0.01 0.17 -0.34 1.28 -1.16 0.00 0.00 179.01 178.94 3ku4 n LEU 75 N -4.16 1.26 -0.19 1.33 4.77 0.53 -4.96 117.00 115.59 3ku4 n LEU 75 Ca -0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3ku4 n LEU 75 Cb 0.24 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ku4 n LEU 75 CO 0.35 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3ku4 n GLY 76 N 1.37 0.69 0.00 -0.72 0.00 -0.77 -5.06 105.19 100.70 3ku4 n GLY 76 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.17 0.00 -3.14 1.61 3.01 0.11 -5.02 117.46 110.87 3ku4 n PHE 77 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 3ku4 n PHE 77 Cb 0.46 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.71 -2.49 4.37 0.00 -1.26 -4.42 120.51 115.42 3ku4 n ALA 82 Ca 0.00 -2.92 -0.32 0.00 0.00 0.00 0.00 53.44 50.20 3ku4 n ALA 82 Cb 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.94 3.56 -0.54 0.00 3.68 -1.26 -5.08 116.67 116.08 3ku4 s ASP 83 Ca 0.34 -0.34 0.01 0.00 2.13 0.00 0.00 52.55 54.69 3ku4 s ASP 83 Cb 0.15 -0.71 0.14 0.00 -1.45 0.00 0.00 42.92 41.04 3ku4 s ASP 83 CO -0.15 0.31 0.31 -0.31 0.13 0.00 0.00 175.17 175.47 3ku4 s TYR 84 N -0.55 3.32 0.35 -5.34 2.02 -1.26 -5.10 117.35 110.80 3ku4 s TYR 84 Ca 0.08 -2.97 -0.27 0.00 -0.37 0.00 0.00 57.07 53.54 3ku4 s TYR 84 Cb -0.11 -2.98 -0.09 0.00 -0.40 0.00 0.00 41.96 38.37 3ku4 s TYR 84 CO 0.01 -0.80 1.14 -1.25 -1.57 0.00 0.00 175.55 173.07 3ku4 s PRO 85 N -0.07 4.31 -0.00 -1.71 0.04 -1.26 -4.96 135.00 131.34 3ku4 s PRO 85 Ca 0.16 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3ku4 s PRO 85 Cb -0.23 -2.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 3ku4 s PRO 85 CO -0.02 -0.09 1.73 1.21 0.04 0.00 0.00 177.00 179.87 3ku4 s ASN 86 N -1.05 6.60 0.25 6.66 3.84 -1.26 -4.67 114.94 125.31 3ku4 s ASN 86 Ca 0.52 2.40 0.12 0.00 0.21 0.00 0.00 52.86 56.11 3ku4 s ASN 86 Cb -0.31 -2.54 0.21 0.00 -0.55 0.00 0.00 41.25 38.06 3ku4 s ASN 86 CO 0.39 -0.95 1.51 0.40 -2.79 0.00 0.00 177.10 175.66 3ku4 h ILE 87 N 5.40 1.32 -4.11 -5.21 2.04 -1.22 -3.44 117.51 112.29 3ku4 h ILE 87 Ca -0.43 -2.41 -0.46 0.00 1.00 0.00 0.00 64.86 62.56 3ku4 h ILE 87 Cb 1.20 2.36 0.12 0.00 -0.74 0.00 0.00 36.82 39.76 3ku4 h ILE 87 CO 0.94 0.65 0.37 0.00 0.00 0.00 0.00 178.15 180.12 3ku4 s GLU 89 N -5.62 4.20 0.51 0.00 2.56 -1.26 -4.92 118.70 114.17 3ku4 s GLU 89 Ca 0.66 0.81 0.33 0.00 0.00 0.00 0.00 54.97 56.77 3ku4 s GLU 89 Cb -0.08 -2.84 1.46 0.00 2.00 0.00 0.00 34.13 34.67 3ku4 s GLU 89 CO 0.50 0.38 1.80 0.78 -0.56 0.00 0.00 175.26 178.15 3ku4 h GLY 90 N 3.31 0.27 2.00 -1.50 0.00 -1.94 0.28 103.07 105.48 3ku4 h GLY 90 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3ku4 h GLY 90 CO 0.65 -0.03 0.00 -0.91 0.00 0.00 0.00 176.54 176.25 3ku4 h THR 91 N 0.08 0.00 -4.22 4.70 1.35 -1.96 -3.47 112.91 109.39 3ku4 h THR 91 Ca 0.57 -0.70 -0.52 0.00 -0.55 0.00 0.00 66.41 65.20 3ku4 h THR 91 Cb 2.09 1.70 0.15 0.00 -1.73 0.00 0.00 68.15 70.35 3ku4 h THR 91 CO -0.07 0.00 0.34 -1.81 -0.25 0.00 0.00 175.52 173.73 3ku4 s ASP 92 N -5.28 4.16 0.49 5.36 1.01 0.97 -4.93 116.67 118.44 3ku4 s ASP 92 Ca 0.09 2.16 0.28 0.00 0.71 0.00 0.00 52.55 55.79 3ku4 s ASP 92 Cb 0.09 -2.57 1.05 0.00 1.01 0.00 0.00 42.92 42.51 3ku4 s ASP 92 CO 0.62 -2.28 1.87 0.03 0.21 0.00 0.00 175.17 175.62 3ku4 h ARG 93 N -0.70 0.00 -6.54 8.23 3.08 -1.87 -3.45 114.38 113.13 3ku4 h ARG 93 Ca -0.46 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.95 3ku4 h ARG 93 Cb 1.27 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.14 3ku4 h ARG 93 CO 0.49 0.11 -0.82 0.71 -1.07 0.00 0.00 179.97 179.39 3ku4 s TYR 94 N -3.60 2.26 0.19 3.04 1.51 -1.26 -4.71 117.35 114.77 3ku4 s TYR 94 Ca 0.01 -0.37 0.11 0.00 -1.01 0.00 0.00 57.07 55.81 3ku4 s TYR 94 Cb 0.09 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 3ku4 s TYR 94 CO 0.60 0.50 -0.22 0.00 -1.11 0.00 0.00 175.55 175.32 3ku4 s ALA 95 N -1.74 2.38 -0.10 3.71 0.00 -1.26 -4.75 121.76 119.99 3ku4 s ALA 95 Ca 0.21 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 3ku4 s ALA 95 Cb -0.08 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.81 3ku4 s ALA 95 CO 0.10 0.36 0.25 1.41 0.00 0.00 0.00 175.76 177.88 3ku4 s MET 96 N -2.75 0.22 0.06 0.00 0.00 -1.26 -0.64 119.30 114.93 3ku4 s MET 96 Ca 0.20 0.51 0.04 0.00 0.00 0.00 0.00 55.69 56.43 3ku4 s MET 96 Cb -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 34.83 34.65 3ku4 s MET 96 CO 0.09 -0.15 -0.11 -0.06 0.00 0.00 0.00 175.02 174.80 3ku4 s PHE 97 N 1.11 0.93 -0.01 4.11 0.40 0.41 -0.59 117.98 124.35 3ku4 s PHE 97 Ca -0.08 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 3ku4 s PHE 97 Cb -0.09 -0.54 0.00 0.00 0.51 0.00 0.00 43.02 42.90 3ku4 s PHE 97 CO -0.07 -0.02 -0.04 0.21 0.70 0.00 0.00 175.22 176.00 3ku4 s LYS 98 N -1.64 0.41 -0.10 0.44 2.20 -1.26 -0.24 119.74 119.55 3ku4 s LYS 98 Ca -0.06 -0.12 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 3ku4 s LYS 98 Cb -0.10 -0.43 0.05 0.00 -1.51 0.00 0.00 37.83 35.85 3ku4 s LYS 98 CO 0.01 0.05 0.16 0.54 -0.36 0.00 0.00 175.35 175.75 3ku4 s VAL 99 N 0.16 -0.26 0.00 4.02 0.11 -0.40 -4.97 120.40 119.06 3ku4 s VAL 99 Ca -0.01 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3ku4 s VAL 99 Cb -0.05 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 3ku4 s VAL 99 CO -0.00 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 3ku4 n GLY 100 N 5.32 3.08 0.04 6.54 0.00 -1.26 -1.34 105.19 117.57 3ku4 n GLY 100 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.02 -4.19 1.61 -0.04 -1.26 -4.69 135.00 141.44 3ku4 n PRO 101 Ca 0.00 -0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.09 3ku4 n PRO 101 Cb 0.00 -1.03 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.94 3.42 -0.11 0.52 1.01 -0.45 -0.76 120.40 122.09 3ku4 s VAL 102 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ku4 s VAL 102 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3ku4 s VAL 102 CO 0.00 0.46 -0.14 -0.22 0.00 0.00 0.00 175.10 175.20 3ku4 s LEU 103 N 1.01 2.71 -0.13 3.92 2.96 0.35 -1.27 118.68 128.22 3ku4 s LEU 103 Ca 0.00 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3ku4 s LEU 103 Cb -0.15 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3ku4 s LEU 103 CO 0.00 0.21 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.49 3ku4 s SER 104 N 0.07 2.92 -0.04 3.68 0.15 0.66 -0.65 113.70 120.50 3ku4 s SER 104 Ca -0.05 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.06 3ku4 s SER 104 Cb -0.15 -1.34 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 3ku4 s SER 104 CO 0.04 0.08 -0.04 -0.69 1.20 0.00 0.00 173.24 173.83 3ku4 s VAL 105 N 0.78 0.49 0.40 4.45 1.01 -0.30 -0.44 120.40 126.80 3ku4 s VAL 105 Ca -0.09 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3ku4 s VAL 105 Cb -0.16 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 3ku4 s VAL 105 CO -0.00 0.21 0.86 -0.94 0.00 0.00 0.00 175.10 175.23 3ku4 s SER 106 N 0.88 6.80 0.00 3.32 1.04 0.19 -2.58 113.70 123.35 3ku4 s SER 106 Ca -0.12 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.79 3ku4 s SER 106 Cb -0.14 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3ku4 s SER 106 CO 0.00 -0.33 0.39 0.00 0.98 0.00 0.00 173.24 174.28 3ku4 n HIS 107 N -0.71 0.00 -4.42 5.02 1.44 0.12 -4.30 115.22 112.38 3ku4 n HIS 107 Ca 0.05 -0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 3ku4 n HIS 107 Cb 0.54 -0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.64 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 -0.04 -1.45 3.48 -1.39 0.00 -0.12 -3.22 105.19 102.44 3ku4 n GLY 108 Ca 0.00 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.07 3.64 0.00 1.61 0.23 -1.26 -4.61 119.30 118.83 3ku4 s MET 109 Ca 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 54.12 3ku4 s MET 109 Cb 0.00 -2.89 0.00 0.00 -1.53 0.00 0.00 34.83 30.41 3ku4 s MET 109 CO 0.00 0.23 0.00 0.41 -2.03 0.00 0.00 175.02 173.63 3ku4 n GLY 110 N 3.55 2.30 0.29 3.16 0.00 -1.26 -4.42 105.19 108.82 3ku4 n GLY 110 Ca -0.17 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.06 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 0.22 -0.83 1.61 2.07 -1.91 -2.01 116.25 115.40 3ku4 h VAL 111 Ca 0.00 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3ku4 h VAL 111 Cb 0.00 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 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 0.02 1.19 -0.22 1.57 0.11 -1.94 -0.76 132.00 131.97 3ku4 h PRO 112 Ca 0.40 -0.18 -0.10 0.00 0.11 0.00 0.00 66.00 66.23 3ku4 h PRO 112 Cb 0.65 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3ku4 h PRO 112 CO -0.80 0.92 -0.26 1.03 -0.21 0.00 0.00 178.00 178.68 3ku4 h SER 113 N 1.18 0.61 0.27 -2.05 0.87 -1.64 -2.92 113.55 109.88 3ku4 h SER 113 Ca 0.28 -0.49 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 3ku4 h SER 113 Cb 0.12 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3ku4 h SER 113 CO -0.04 0.99 -0.48 -0.29 -0.53 0.00 0.00 176.83 176.48 3ku4 h ILE 114 N 0.26 1.34 -0.66 2.23 2.10 -1.23 -2.51 117.51 119.04 3ku4 h ILE 114 Ca 0.03 -1.70 -0.05 0.00 1.08 0.00 0.00 64.86 64.22 3ku4 h ILE 114 Cb 0.83 1.80 -0.03 0.00 -1.09 0.00 0.00 36.82 38.33 3ku4 h ILE 114 CO 0.06 0.51 0.22 0.00 -1.08 0.00 0.00 178.15 177.86 3ku4 h ALA 115 N 1.30 0.86 0.22 0.18 0.00 -1.14 -0.60 119.26 120.07 3ku4 h ALA 115 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ku4 h ALA 115 Cb 0.93 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ku4 h ALA 115 CO 0.08 0.51 -0.10 0.82 0.00 0.00 0.00 179.25 180.55 3ku4 h ILE 116 N 0.94 0.81 -0.61 0.00 2.04 -1.40 -1.74 117.51 117.55 3ku4 h ILE 116 Ca 0.21 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 66.06 3ku4 h ILE 116 Cb 0.27 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 3ku4 h ILE 116 CO -0.01 0.03 0.05 -0.03 0.00 0.00 0.00 178.15 178.19 3ku4 h MET 117 N -0.36 0.16 -0.51 2.37 4.05 -1.25 -2.64 114.93 116.75 3ku4 h MET 117 Ca -0.03 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 3ku4 h MET 117 Cb 0.28 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3ku4 h MET 117 CO 0.05 0.10 -0.03 -0.07 0.23 0.00 0.00 176.91 177.20 3ku4 h LEU 118 N 0.16 0.85 -0.28 3.39 3.38 -0.88 0.40 115.31 122.33 3ku4 h LEU 118 Ca 0.32 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3ku4 h LEU 118 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ku4 h LEU 118 CO -0.49 0.93 0.16 0.45 0.09 0.00 0.00 178.44 179.58 3ku4 h HIS 119 N 0.80 0.30 -0.09 1.13 3.86 -1.02 -0.44 115.15 119.70 3ku4 h HIS 119 Ca 0.15 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.20 3ku4 h HIS 119 Cb 0.52 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3ku4 h HIS 119 CO 0.03 0.18 -0.67 0.93 0.86 0.00 0.00 177.93 179.25 3ku4 h GLU 120 N 0.33 0.37 -0.22 2.45 5.08 -1.13 -2.60 114.58 118.87 3ku4 h GLU 120 Ca 0.11 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3ku4 h GLU 120 Cb 0.01 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ku4 h GLU 120 CO -0.06 0.91 -0.20 1.25 -1.00 0.00 0.00 179.01 179.91 3ku4 h LEU 121 N 0.27 0.56 -1.24 1.33 5.85 -0.80 -0.93 115.31 120.33 3ku4 h LEU 121 Ca -0.02 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 3ku4 h LEU 121 Cb 1.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3ku4 h LEU 121 CO 0.11 0.91 0.24 0.40 -0.34 0.00 0.00 178.44 179.76 3ku4 h ILE 122 N 0.21 1.19 -0.43 4.05 2.04 -1.11 0.15 117.51 123.61 3ku4 h ILE 122 Ca 0.04 -0.56 -0.15 0.00 1.00 0.00 0.00 64.86 65.19 3ku4 h ILE 122 Cb 0.75 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ku4 h ILE 122 CO 0.05 0.22 -0.31 0.11 0.00 0.00 0.00 178.15 178.23 3ku4 h LYS 123 N 0.76 0.97 -0.36 2.37 1.57 -1.34 -2.40 116.57 118.14 3ku4 h LYS 123 Ca 0.19 -0.47 0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3ku4 h LYS 123 Cb 0.11 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3ku4 h LYS 123 CO -0.02 1.13 -0.03 1.25 -0.57 0.00 0.00 179.45 181.22 3ku4 h LEU 124 N 0.81 -0.20 -1.27 2.94 6.46 -0.45 0.62 115.31 124.23 3ku4 h LEU 124 Ca 0.08 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 3ku4 h LEU 124 Cb 0.90 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 3ku4 h LEU 124 CO 0.08 -0.06 0.25 -0.07 -0.62 0.00 0.00 178.44 178.02 3ku4 h LEU 125 N 0.07 0.68 -0.01 2.25 3.38 -0.86 -0.54 115.31 120.28 3ku4 h LEU 125 Ca 0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ku4 h LEU 125 Cb 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ku4 h LEU 125 CO -0.31 0.58 -0.01 0.22 0.09 0.00 0.00 178.44 179.01 3ku4 h TYR 126 N 0.75 0.03 -0.56 1.13 5.03 -0.91 -1.57 116.97 120.87 3ku4 h TYR 126 Ca 0.19 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.55 3ku4 h TYR 126 Cb 0.09 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 3ku4 h TYR 126 CO 0.01 0.50 0.37 0.45 -1.32 0.00 0.00 178.16 178.16 3ku4 h HIS 127 N -0.45 0.52 0.00 -3.82 3.86 -0.60 -0.23 115.15 114.42 3ku4 h HIS 127 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3ku4 h HIS 127 Cb 0.49 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3ku4 h HIS 127 CO 0.09 0.28 0.00 0.00 0.86 0.00 0.00 177.93 179.17 3ku4 n ALA 128 N -2.49 2.00 -3.37 2.45 0.00 -0.23 -4.01 120.51 114.85 3ku4 n ALA 128 Ca 0.08 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3ku4 n ALA 128 Cb 0.24 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.46 -2.30 -1.30 0.00 -0.00 -0.10 -4.15 115.22 105.90 3ku4 n HIS 129 Ca 0.06 0.73 -0.32 0.00 -0.00 0.00 0.00 57.72 58.19 3ku4 n HIS 129 Cb 0.23 -4.44 0.10 0.00 -0.00 0.00 0.00 29.99 25.88 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 -2.82 -0.02 -1.32 0.00 1.04 -1.26 -1.57 113.70 107.75 3ku4 s SER 131 Ca 0.66 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 3ku4 s SER 131 Cb -0.21 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.16 3ku4 s SER 131 CO 0.51 -0.40 0.97 0.61 0.98 0.00 0.00 173.24 175.91 3ku4 n GLY 132 N 1.36 -0.41 3.87 7.32 0.00 -1.26 -4.80 105.19 111.26 3ku4 n GLY 132 Ca -0.22 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.42 5.07 -0.07 1.61 1.01 -1.26 -4.85 120.40 118.50 3ku4 s VAL 133 Ca 0.25 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.71 3ku4 s VAL 133 Cb -0.12 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3ku4 s VAL 133 CO 0.77 0.22 -0.24 -0.89 0.00 0.00 0.00 175.10 174.96 3ku4 s THR 134 N -1.47 1.96 -0.14 3.92 2.01 -0.12 -4.38 115.64 117.41 3ku4 s THR 134 Ca 0.36 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 3ku4 s THR 134 Cb -0.14 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3ku4 s THR 134 CO 0.19 0.54 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.90 3ku4 s LEU 135 N 0.01 3.46 -0.05 4.42 1.02 -0.76 -0.89 118.68 125.88 3ku4 s LEU 135 Ca -0.08 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.06 3ku4 s LEU 135 Cb -0.15 -1.83 0.02 0.00 0.02 0.00 0.00 46.19 44.25 3ku4 s LEU 135 CO 0.05 0.22 -0.04 -0.63 0.02 0.00 0.00 176.35 175.97 3ku4 s ILE 136 N 0.07 0.56 -0.05 -0.59 1.01 0.16 -1.21 121.20 121.14 3ku4 s ILE 136 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 3ku4 s ILE 136 Cb -0.13 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 3ku4 s ILE 136 CO 0.02 0.25 0.42 -0.60 0.00 0.00 0.00 174.94 175.03 3ku4 s ARG 137 N 1.16 4.10 0.09 2.79 3.52 -0.27 -0.88 118.95 129.47 3ku4 s ARG 137 Ca -0.07 0.40 0.09 0.00 -0.13 0.00 0.00 55.73 56.02 3ku4 s ARG 137 Cb -0.14 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3ku4 s ARG 137 CO -0.01 0.47 -0.23 0.96 -0.81 0.00 0.00 175.30 175.68 3ku4 s ILE 138 N -0.37 1.92 -0.80 4.11 -4.36 -0.00 -0.71 121.20 120.99 3ku4 s ILE 138 Ca 0.24 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.09 3ku4 s ILE 138 Cb -0.16 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.84 3ku4 s ILE 138 CO 0.12 0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.98 3ku4 n GLY 139 N 1.23 -1.27 3.82 6.27 0.00 -1.13 -4.34 105.19 109.78 3ku4 n GLY 139 Ca -0.18 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.94 3.28 0.24 2.61 -4.23 -1.26 -1.57 115.64 111.78 3ku4 s THR 140 Ca 0.00 -1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 58.85 3ku4 s THR 140 Cb 0.00 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.76 3ku4 s THR 140 CO 0.00 -0.15 0.63 -0.94 -0.54 0.00 0.00 174.62 173.62 3ku4 s SER 141 N -3.97 -0.29 -0.14 3.99 1.04 -0.15 -4.83 113.70 109.35 3ku4 s SER 141 Ca 0.41 -0.53 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 3ku4 s SER 141 Cb -0.04 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 3ku4 s SER 141 CO 0.26 -1.21 0.48 -0.83 0.98 0.00 0.00 173.24 172.92 3ku4 s GLY 142 N -2.90 2.32 0.44 7.32 0.00 -0.66 -1.38 107.32 112.47 3ku4 s GLY 142 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 3ku4 s GLY 142 CO 0.02 0.84 0.72 -0.32 0.00 0.00 0.00 173.10 174.36 3ku4 s GLY 143 N 0.74 1.51 -0.21 0.20 0.00 0.19 -0.60 107.32 109.16 3ku4 s GLY 143 Ca 0.25 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 3ku4 s GLY 143 CO 0.10 -0.43 0.01 -0.42 0.00 0.00 0.00 173.10 172.35 3ku4 s ILE 144 N -2.59 0.86 -0.37 0.90 -1.09 0.22 -0.84 121.20 118.30 3ku4 s ILE 144 Ca 0.46 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 3ku4 s ILE 144 Cb -0.10 -1.29 0.00 0.00 -1.58 0.00 0.00 42.46 39.49 3ku4 s ILE 144 CO 0.41 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 3ku4 n GLY 145 N 4.92 0.65 3.35 6.18 0.00 -1.26 -4.68 105.19 114.35 3ku4 n GLY 145 Ca -0.10 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.79 2.37 0.46 0.99 1.43 -1.26 -5.12 118.68 116.75 3ku4 s LEU 146 Ca 0.00 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.07 3ku4 s LEU 146 Cb 0.00 -1.02 -0.07 0.00 0.03 0.00 0.00 46.19 45.13 3ku4 s LEU 146 CO 0.00 0.08 1.31 -1.83 0.23 0.00 0.00 176.35 176.14 3ku4 s GLU 147 N -2.32 3.68 0.33 1.70 -1.05 -1.26 -4.38 118.70 115.40 3ku4 s GLU 147 Ca 0.14 2.13 -0.28 0.00 -0.15 0.00 0.00 54.97 56.81 3ku4 s GLU 147 Cb -0.09 -2.55 -0.13 0.00 -0.44 0.00 0.00 34.13 30.93 3ku4 s GLU 147 CO 0.07 -0.72 1.22 -2.30 0.95 0.00 0.00 175.26 174.47 3ku4 n PRO 148 N -0.33 1.93 -0.08 -4.83 -0.02 -1.26 -2.27 135.00 128.14 3ku4 n PRO 148 Ca 0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3ku4 n PRO 148 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.88 0.91 3.76 -1.23 0.00 0.45 -4.99 105.19 104.97 3ku4 n GLY 149 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.75 5.78 -0.14 1.61 0.01 -0.96 -4.63 113.70 112.62 3ku4 s SER 150 Ca 0.00 2.49 -0.05 0.00 1.31 0.00 0.00 55.95 59.70 3ku4 s SER 150 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3ku4 s SER 150 CO 0.00 -1.20 0.04 -0.69 0.41 0.00 0.00 173.24 171.80 3ku4 s VAL 151 N -1.45 4.65 -0.14 3.43 1.01 -0.08 0.14 120.40 127.96 3ku4 s VAL 151 Ca 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 3ku4 s VAL 151 Cb -0.33 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3ku4 s VAL 151 CO 0.40 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 175.27 3ku4 s VAL 152 N -0.27 3.52 -0.28 2.92 1.01 0.15 -1.28 120.40 126.17 3ku4 s VAL 152 Ca 0.08 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 3ku4 s VAL 152 Cb -0.12 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3ku4 s VAL 152 CO 0.02 0.51 0.42 -0.63 0.00 0.00 0.00 175.10 175.42 3ku4 s ILE 153 N 0.37 5.13 -0.06 2.22 -1.09 0.23 -2.28 121.20 125.72 3ku4 s ILE 153 Ca -0.07 0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 3ku4 s ILE 153 Cb -0.15 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 3ku4 s ILE 153 CO 0.04 0.10 1.27 -0.89 -1.23 0.00 0.00 174.94 174.23 3ku4 s THR 154 N 2.16 4.12 -0.15 2.92 2.01 -0.62 -1.72 115.64 124.37 3ku4 s THR 154 Ca 0.17 1.45 -0.15 0.00 0.31 0.00 0.00 61.69 63.47 3ku4 s THR 154 Cb -0.16 -3.93 -0.12 0.00 0.01 0.00 0.00 72.50 68.31 3ku4 s THR 154 CO 0.10 -0.03 0.19 -0.09 -0.69 0.00 0.00 174.62 174.10 3ku4 h ARG 155 N 7.72 0.00 -4.46 4.92 1.12 -1.50 -3.42 114.38 118.76 3ku4 h ARG 155 Ca -0.34 0.00 -0.48 0.00 -1.11 0.00 0.00 59.98 58.06 3ku4 h ARG 155 Cb 1.16 0.00 -0.33 0.00 -0.01 0.00 0.00 29.97 30.79 3ku4 h ARG 155 CO 0.90 0.48 -0.80 -0.65 -3.11 0.00 0.00 179.97 176.80 3ku4 s GLN 156 N -2.09 1.37 0.31 0.20 -0.21 -1.26 -1.31 119.66 116.68 3ku4 s GLN 156 Ca -0.15 -0.33 -0.28 0.00 0.02 0.00 0.00 55.36 54.62 3ku4 s GLN 156 Cb 0.01 -1.19 -0.09 0.00 1.00 0.00 0.00 33.01 32.74 3ku4 s GLN 156 CO 0.37 0.03 1.04 0.00 -2.12 0.00 0.00 175.29 174.61 3ku4 s ALA 157 N 0.61 3.29 0.07 6.09 0.00 -0.92 -1.96 121.76 128.93 3ku4 s ALA 157 Ca -0.12 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3ku4 s ALA 157 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3ku4 s ALA 157 CO 0.02 -0.08 -0.06 0.14 0.00 0.00 0.00 175.76 175.78 3ku4 s VAL 158 N -1.35 0.50 0.82 0.00 -7.23 0.72 -4.43 120.40 109.43 3ku4 s VAL 158 Ca 0.48 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 3ku4 s VAL 158 Cb -0.27 -1.36 0.09 0.00 0.56 0.00 0.00 36.38 35.39 3ku4 s VAL 158 CO 0.34 -0.80 1.13 -1.81 -0.31 0.00 0.00 175.10 173.65 3ku4 s ASP 159 N -2.66 3.88 0.11 4.85 1.01 0.29 -1.57 116.67 122.60 3ku4 s ASP 159 Ca 0.05 2.04 0.10 0.00 0.71 0.00 0.00 52.55 55.45 3ku4 s ASP 159 Cb 0.02 -2.55 0.49 0.00 1.01 0.00 0.00 42.92 41.89 3ku4 s ASP 159 CO -0.05 -2.46 1.30 -2.65 0.21 0.00 0.00 175.17 171.52 3ku4 n PRO 160 N -3.64 0.05 -0.28 8.23 -0.02 -1.26 0.85 135.00 138.94 3ku4 n PRO 160 Ca 0.11 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 3ku4 n PRO 160 Cb 0.52 -1.66 0.26 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.48 0.00 -3.34 0.00 0.99 0.25 -5.03 117.46 111.81 3ku4 n PHE 162 Ca 0.21 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.28 3ku4 n PHE 162 Cb 0.59 -1.30 -0.06 0.00 -1.00 0.00 0.00 39.48 37.71 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 -1.86 4.13 -0.92 -1.08 3.01 -1.26 -4.60 119.74 117.16 3ku4 s LYS 163 Ca 0.00 0.61 -0.07 0.00 -1.01 0.00 0.00 55.97 55.50 3ku4 s LYS 163 Cb 0.00 -3.26 -0.13 0.00 -1.01 0.00 0.00 37.83 33.43 3ku4 s LYS 163 CO 0.00 0.60 2.87 -0.35 0.51 0.00 0.00 175.35 178.97 3ku4 n PRO 164 N 1.98 2.69 -4.09 -1.68 -0.04 -1.26 0.11 135.00 132.70 3ku4 n PRO 164 Ca -0.11 -1.58 -0.14 0.00 -0.04 0.00 0.00 63.50 61.63 3ku4 n PRO 164 Cb 0.51 -2.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.43 3ku4 n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ku4 s GLU 165 N 2.12 0.55 -0.10 0.54 2.02 -1.26 -2.18 118.70 120.39 3ku4 s GLU 165 Ca 0.59 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.90 3ku4 s GLU 165 Cb 0.20 -0.37 0.02 0.00 0.10 0.00 0.00 34.13 34.07 3ku4 s GLU 165 CO -0.03 0.07 -0.14 0.12 0.02 0.00 0.00 175.26 175.30 3ku4 s PHE 166 N -1.20 1.85 -0.02 1.61 2.19 0.64 -4.38 117.98 118.66 3ku4 s PHE 166 Ca -0.08 -0.84 0.03 0.00 0.33 0.00 0.00 56.93 56.37 3ku4 s PHE 166 Cb -0.09 -1.35 -0.03 0.00 -1.31 0.00 0.00 43.02 40.24 3ku4 s PHE 166 CO 0.00 -0.44 -0.09 -2.00 1.83 0.00 0.00 175.22 174.52 3ku4 s GLU 167 N 0.99 2.53 0.20 10.12 2.12 -1.26 -0.39 118.70 133.00 3ku4 s GLU 167 Ca -0.07 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 54.51 3ku4 s GLU 167 Cb -0.15 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 3ku4 s GLU 167 CO -0.01 0.61 0.21 1.14 -0.54 0.00 0.00 175.26 176.67 3ku4 s GLN 168 N -1.15 1.24 -0.32 4.30 -2.07 -0.38 -4.99 119.66 116.28 3ku4 s GLN 168 Ca 0.15 -1.48 -0.04 0.00 -1.82 0.00 0.00 55.36 52.17 3ku4 s GLN 168 Cb -0.11 0.32 0.05 0.00 -1.09 0.00 0.00 33.01 32.18 3ku4 s GLN 168 CO 0.05 -0.43 0.05 0.96 -1.32 0.00 0.00 175.29 174.59 3ku4 s ILE 169 N -4.10 3.31 -0.39 3.63 -5.25 -1.26 -0.30 121.20 116.84 3ku4 s ILE 169 Ca 0.32 -1.30 -0.12 0.00 -0.99 0.00 0.00 60.65 58.56 3ku4 s ILE 169 Cb 0.05 -2.90 0.04 0.00 2.95 0.00 0.00 42.46 42.59 3ku4 s ILE 169 CO 0.09 -0.15 0.24 -0.69 -1.79 0.00 0.00 174.94 172.63 3ku4 s VAL 170 N 1.31 4.66 -1.29 8.37 1.01 0.17 -4.42 120.40 130.21 3ku4 s VAL 170 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3ku4 s VAL 170 Cb -0.20 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3ku4 s VAL 170 CO 0.00 -0.30 0.00 0.18 0.00 0.00 0.00 175.10 174.98 3ku4 n LEU 171 N 5.02 -1.42 0.00 3.92 4.77 -1.26 -2.54 117.00 125.49 3ku4 n LEU 171 Ca -0.11 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ku4 n LEU 171 Cb 0.46 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 3ku4 n LEU 171 CO 0.38 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3ku4 n GLY 172 N -1.10 0.60 3.60 -0.72 0.00 -1.26 -5.07 105.19 101.23 3ku4 n GLY 172 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.80 2.73 0.00 1.61 1.02 -1.05 -5.05 119.74 118.20 3ku4 s LYS 173 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 3ku4 s LYS 173 Cb 0.00 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3ku4 s LYS 173 CO 0.00 0.65 1.33 -0.98 -0.92 0.00 0.00 175.35 175.43 3ku4 s ARG 174 N -0.99 4.32 0.04 1.68 1.04 -1.26 -0.65 118.95 123.12 3ku4 s ARG 174 Ca 0.14 1.88 0.08 0.00 -1.04 0.00 0.00 55.73 56.79 3ku4 s ARG 174 Cb -0.11 -3.52 -0.03 0.00 -2.04 0.00 0.00 34.95 29.25 3ku4 s ARG 174 CO 0.03 -0.50 -0.23 -1.21 -0.04 0.00 0.00 175.30 173.35 3ku4 s GLU 175 N 2.11 1.63 -0.02 3.89 2.02 0.59 -4.95 118.70 123.97 3ku4 s GLU 175 Ca 0.61 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 54.67 3ku4 s GLU 175 Cb -0.30 -1.75 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 3ku4 s GLU 175 CO 0.26 0.45 -0.20 0.08 0.02 0.00 0.00 175.26 175.87 3ku4 s VAL 176 N -0.76 1.57 0.06 2.63 1.01 -1.26 -1.25 120.40 122.39 3ku4 s VAL 176 Ca 0.09 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3ku4 s VAL 176 Cb -0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3ku4 s VAL 176 CO 0.02 0.45 -0.15 -0.13 0.00 0.00 0.00 175.10 175.28 3ku4 s ARG 177 N -0.37 0.93 0.30 2.72 0.52 0.47 -4.97 118.95 118.55 3ku4 s ARG 177 Ca 0.05 -0.88 -0.26 0.00 -0.52 0.00 0.00 55.73 54.13 3ku4 s ARG 177 Cb -0.09 -0.97 -0.10 0.00 0.52 0.00 0.00 34.95 34.32 3ku4 s ARG 177 CO -0.00 0.23 0.92 1.21 0.02 0.00 0.00 175.30 177.68 3ku4 s ASN 178 N -1.43 7.34 -0.26 0.23 2.47 -1.26 -0.26 114.94 121.76 3ku4 s ASN 178 Ca 0.01 1.80 0.09 0.00 0.42 0.00 0.00 52.86 55.18 3ku4 s ASN 178 Cb -0.09 -2.56 0.45 0.00 -1.45 0.00 0.00 41.25 37.60 3ku4 s ASN 178 CO 0.02 -0.03 1.29 0.35 -3.72 0.00 0.00 177.10 175.01 3ku4 n THR 179 N 0.67 2.40 -2.16 -5.21 -2.24 -0.93 -4.27 114.28 102.54 3ku4 n THR 179 Ca 0.01 -3.35 -0.39 0.00 -2.27 0.00 0.00 64.05 58.04 3ku4 n THR 179 Cb 0.50 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.13 6.48 0.29 3.42 1.01 -1.26 -2.18 116.67 121.30 3ku4 s ASP 180 Ca 0.43 2.54 0.06 0.00 0.71 0.00 0.00 52.55 56.29 3ku4 s ASP 180 Cb 0.39 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 3ku4 s ASP 180 CO -0.03 -0.72 0.36 -0.76 0.21 0.00 0.00 175.17 174.23 3ku4 s LEU 181 N -2.32 4.02 -0.08 1.23 1.43 -0.42 -4.91 118.68 117.63 3ku4 s LEU 181 Ca 0.55 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 3ku4 s LEU 181 Cb -0.36 -2.65 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 3ku4 s LEU 181 CO 0.46 -0.22 2.05 -0.67 0.23 0.00 0.00 176.35 178.20 3ku4 n ASP 182 N -1.44 3.70 -0.06 2.29 -0.08 -1.23 -4.87 116.55 114.85 3ku4 n ASP 182 Ca -0.05 0.66 -0.04 0.00 -1.51 0.00 0.00 54.79 53.86 3ku4 n ASP 182 Cb 0.58 -1.50 0.18 0.00 2.34 0.00 0.00 41.12 42.72 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 11.94 0.68 -0.63 -0.67 4.57 -1.93 -2.00 114.58 126.54 3ku4 h GLU 183 Ca -0.46 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 57.44 3ku4 h GLU 183 Cb 1.25 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 3ku4 h GLU 183 CO 0.95 0.75 0.08 1.96 -1.18 0.00 0.00 179.01 181.57 3ku4 h GLN 184 N 0.63 1.05 -0.71 1.92 4.20 -2.00 -2.37 115.11 117.83 3ku4 h GLN 184 Ca 0.12 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3ku4 h GLN 184 Cb 0.50 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 3ku4 h GLN 184 CO 0.03 0.99 0.23 1.25 -0.67 0.00 0.00 178.83 180.66 3ku4 h LEU 185 N 0.96 1.03 -0.99 1.46 6.46 -1.85 -0.92 115.31 121.47 3ku4 h LEU 185 Ca 0.19 -0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 3ku4 h LEU 185 Cb 0.46 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 3ku4 h LEU 185 CO 0.02 0.96 0.06 -0.37 -0.62 0.00 0.00 178.44 178.49 3ku4 h VAL 186 N 1.05 1.23 -0.29 1.05 -1.51 -1.12 0.07 116.25 116.72 3ku4 h VAL 186 Ca 0.23 -0.90 -0.08 0.00 -1.23 0.00 0.00 66.70 64.72 3ku4 h VAL 186 Cb 0.29 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 3ku4 h VAL 186 CO -0.01 0.33 -0.12 1.56 -1.23 0.00 0.00 177.57 178.10 3ku4 h GLN 187 N 0.75 0.60 -0.78 5.19 1.08 -1.09 -0.07 115.11 120.79 3ku4 h GLN 187 Ca 0.16 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 3ku4 h GLN 187 Cb 0.37 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 3ku4 h GLN 187 CO 0.01 0.82 0.47 1.49 -0.95 0.00 0.00 178.83 180.67 3ku4 h GLU 188 N 0.35 1.06 -0.38 1.46 4.81 -0.98 -0.26 114.58 120.65 3ku4 h GLU 188 Ca 0.07 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3ku4 h GLU 188 Cb 0.63 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3ku4 h GLU 188 CO 0.04 0.75 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.89 3ku4 h LEU 189 N 1.06 0.64 -0.44 1.64 3.38 -0.83 -0.22 115.31 120.54 3ku4 h LEU 189 Ca 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ku4 h LEU 189 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ku4 h LEU 189 CO -0.05 0.78 0.24 0.00 0.09 0.00 0.00 178.44 179.50 3ku4 h ALA 190 N 1.28 0.57 -0.87 1.53 0.00 -0.49 -1.17 119.26 120.11 3ku4 h ALA 190 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ku4 h ALA 190 Cb 0.54 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3ku4 h ALA 190 CO 0.03 0.10 0.57 0.00 0.00 0.00 0.00 179.25 179.95 3ku4 h ARG 191 N 0.58 1.11 -0.79 0.00 3.08 -0.69 -2.04 114.38 115.63 3ku4 h ARG 191 Ca 0.16 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3ku4 h ARG 191 Cb 0.07 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.83 3ku4 h ARG 191 CO -0.02 0.73 0.33 0.00 -1.07 0.00 0.00 179.97 179.94 3ku4 h SER 193 N 1.14 0.64 -0.31 0.00 0.87 -0.71 -2.57 113.55 112.60 3ku4 h SER 193 Ca 0.26 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 3ku4 h SER 193 Cb 0.19 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3ku4 h SER 193 CO -0.03 0.81 -0.08 0.00 -0.53 0.00 0.00 176.83 177.00 3ku4 h ALA 194 N 1.25 1.08 -0.76 6.23 0.00 -0.99 -1.65 119.26 124.42 3ku4 h ALA 194 Ca 0.10 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3ku4 h ALA 194 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ku4 h ALA 194 CO 0.04 0.57 0.49 0.93 0.00 0.00 0.00 179.25 181.28 3ku4 h GLU 195 N 0.66 0.95 -0.23 0.00 5.08 -0.97 -2.99 114.58 117.08 3ku4 h GLU 195 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3ku4 h GLU 195 Cb 0.53 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ku4 h GLU 195 CO 0.03 0.63 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.55 3ku4 h LEU 196 N 0.97 0.45 -0.40 1.33 3.38 -1.21 -3.48 115.31 116.36 3ku4 h LEU 196 Ca 0.29 -0.36 -0.37 0.00 0.09 0.00 0.00 57.88 57.53 3ku4 h LEU 196 Cb -0.05 -0.12 0.11 0.00 0.09 0.00 0.00 40.66 40.69 3ku4 h LEU 196 CO -0.09 0.70 -0.60 0.61 0.09 0.00 0.00 178.44 179.15 3ku4 n GLY 197 N -0.17 -0.42 0.00 0.83 0.00 -0.64 -4.92 105.19 99.87 3ku4 n GLY 197 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.40 0.94 -3.47 1.61 1.02 -1.26 -5.06 120.64 110.02 3ku4 n GLU 198 Ca -0.02 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 3ku4 n GLU 198 Cb 0.57 -1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.87 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 -2.27 -0.57 0.21 -0.32 -0.71 -1.26 -5.14 117.98 107.92 3ku4 s PHE 199 Ca -0.01 0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 56.23 3ku4 s PHE 199 Cb 0.04 0.49 -0.09 0.00 -1.21 0.00 0.00 43.02 42.25 3ku4 s PHE 199 CO 0.24 -0.71 1.30 -2.14 -1.34 0.00 0.00 175.22 172.57 3ku4 s PRO 200 N -2.57 4.40 -0.03 1.99 0.02 -1.26 -4.92 135.00 132.63 3ku4 s PRO 200 Ca -0.04 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.05 3ku4 s PRO 200 Cb -0.01 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.34 3ku4 s PRO 200 CO -0.03 -0.23 -0.06 0.99 -0.33 0.00 0.00 177.00 177.34 3ku4 s THR 201 N -0.00 0.58 0.10 0.99 2.01 -1.26 -0.90 115.64 117.15 3ku4 s THR 201 Ca 0.56 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.39 3ku4 s THR 201 Cb -0.36 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 3ku4 s THR 201 CO 0.39 0.21 -0.12 0.68 -0.69 0.00 0.00 174.62 175.09 3ku4 s VAL 202 N 0.49 1.07 -0.08 3.82 -7.23 -0.40 -4.98 120.40 113.11 3ku4 s VAL 202 Ca -0.07 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 3ku4 s VAL 202 Cb -0.10 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 3ku4 s VAL 202 CO 0.00 -0.46 0.31 0.54 -0.31 0.00 0.00 175.10 175.18 3ku4 s VAL 203 N -2.15 5.23 0.20 1.32 0.11 -1.26 -0.60 120.40 123.26 3ku4 s VAL 203 Ca 0.05 0.61 -0.19 0.00 -2.93 0.00 0.00 61.98 59.51 3ku4 s VAL 203 Cb -0.05 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.26 3ku4 s VAL 203 CO 0.01 0.53 0.94 0.61 -3.33 0.00 0.00 175.10 173.87 3ku4 n GLY 204 N 2.31 0.70 3.88 6.54 0.00 -0.70 -4.93 105.19 112.98 3ku4 n GLY 204 Ca -0.15 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 3ku4 n GLY 204 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ku4 s ASN 205 N -3.25 6.54 -0.12 1.61 0.01 -0.27 -1.16 114.94 118.31 3ku4 s ASN 205 Ca 0.21 1.10 0.01 0.00 -0.71 0.00 0.00 52.86 53.47 3ku4 s ASN 205 Cb -0.03 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.34 3ku4 s ASN 205 CO 0.06 -0.35 -0.14 -0.89 -1.51 0.00 0.00 177.10 174.27 3ku4 s THR 206 N -2.29 1.48 0.09 1.60 2.01 -0.83 -0.50 115.64 117.21 3ku4 s THR 206 Ca 0.51 -0.62 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 3ku4 s THR 206 Cb -0.10 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.96 3ku4 s THR 206 CO 0.29 0.44 0.62 -0.32 -0.69 0.00 0.00 174.62 174.96 3ku4 s MET 207 N 1.16 4.28 -0.16 4.92 1.75 0.02 -0.20 119.30 131.07 3ku4 s MET 207 Ca -0.03 0.83 0.01 0.00 -1.25 0.00 0.00 55.69 55.25 3ku4 s MET 207 Cb -0.14 -3.25 0.02 0.00 2.84 0.00 0.00 34.83 34.30 3ku4 s MET 207 CO -0.04 0.62 -0.19 0.00 -0.65 0.00 0.00 175.02 174.76 3ku4 s THR 209 N 1.21 2.93 -1.15 0.00 -4.23 -0.84 -4.18 115.64 109.37 3ku4 s THR 209 Ca 0.02 -1.32 0.27 0.00 -1.18 0.00 0.00 61.69 59.48 3ku4 s THR 209 Cb -0.14 -2.30 0.18 0.00 1.34 0.00 0.00 72.50 71.58 3ku4 s THR 209 CO -0.09 0.20 1.68 0.18 -0.54 0.00 0.00 174.62 176.05 3ku4 n LEU 210 N 1.10 0.34 -3.80 4.79 4.77 -1.26 -4.55 117.00 118.39 3ku4 n LEU 210 Ca -0.15 0.16 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 3ku4 n LEU 210 Cb 0.52 -0.32 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 3ku4 n LEU 210 CO 0.28 0.08 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.42 3ku4 s ASP 211 N -2.88 1.20 -0.04 -1.43 2.15 -1.26 -5.03 116.67 109.38 3ku4 s ASP 211 Ca 0.16 -0.08 -0.16 0.00 0.43 0.00 0.00 52.55 52.90 3ku4 s ASP 211 Cb 0.19 -0.39 -0.10 0.00 -0.30 0.00 0.00 42.92 42.32 3ku4 s ASP 211 CO 0.59 -0.15 0.66 0.15 -0.17 0.00 0.00 175.17 176.25 3ku4 h PHE 212 N 7.86 -0.39 -0.02 -5.34 3.04 -1.94 -2.34 116.94 117.81 3ku4 h PHE 212 Ca -0.28 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.63 3ku4 h PHE 212 Cb 1.13 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.77 3ku4 h PHE 212 CO 0.49 -0.14 -0.11 1.88 -2.02 0.00 0.00 178.31 178.40 3ku4 h TYR 213 N -1.06 0.15 0.00 0.41 -1.99 -1.97 -3.21 116.97 109.31 3ku4 h TYR 213 Ca -0.04 -0.07 -0.17 0.00 2.00 0.00 0.00 58.73 60.44 3ku4 h TYR 213 Cb 0.42 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.10 3ku4 h TYR 213 CO 0.02 0.76 -1.68 0.39 -0.00 0.00 0.00 178.16 177.65 3ku4 n GLU 214 N -4.65 0.64 0.21 4.88 1.02 -1.26 -2.27 120.64 119.20 3ku4 n GLU 214 Ca -0.09 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 3ku4 n GLU 214 Cb 0.39 -1.71 0.15 0.00 -0.02 0.00 0.00 31.44 30.25 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 3.83 0.00 -1.88 0.62 0.00 -1.58 -3.27 103.07 100.78 3ku4 h GLY 215 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3ku4 h GLY 215 CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 3ku4 n GLN 216 N -3.07 2.78 -1.73 4.80 6.02 -1.14 -4.91 117.38 120.12 3ku4 n GLN 216 Ca 0.04 -2.30 -0.10 0.00 -0.01 0.00 0.00 57.00 54.63 3ku4 n GLN 216 Cb 0.54 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 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 1.01 0.55 3.80 1.08 0.00 -1.23 -5.00 105.19 105.39 3ku4 n GLY 217 Ca 0.17 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.66 3.09 0.00 1.61 0.52 -0.96 -4.77 118.95 114.78 3ku4 s ARG 218 Ca 0.00 1.18 0.17 0.00 -0.52 0.00 0.00 55.73 56.56 3ku4 s ARG 218 Cb 0.00 -2.00 0.15 0.00 0.52 0.00 0.00 34.95 33.62 3ku4 s ARG 218 CO 0.00 -0.99 1.06 1.28 0.02 0.00 0.00 175.30 176.67 3ku4 n LEU 219 N -2.41 2.49 -0.95 2.53 4.77 -1.26 -4.66 117.00 117.51 3ku4 n LEU 219 Ca 0.09 -1.05 0.06 0.00 -0.03 0.00 0.00 56.01 55.07 3ku4 n LEU 219 Cb 0.53 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.85 3ku4 n LEU 219 CO 0.49 0.45 0.72 -0.90 -1.33 0.00 0.00 177.39 176.82 3ku4 n ASP 220 N 0.97 3.64 -3.93 -1.43 3.85 -1.26 -4.96 116.55 113.45 3ku4 n ASP 220 Ca 0.10 -3.15 -0.30 0.00 -0.71 0.00 0.00 54.79 50.73 3ku4 n ASP 220 Cb 0.44 -0.56 0.21 0.00 -1.35 0.00 0.00 41.12 39.85 3ku4 n ASP 220 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3ku4 s GLY 221 N -2.03 1.81 0.34 6.12 0.00 -1.26 -4.96 107.32 107.34 3ku4 s GLY 221 Ca 0.43 -1.32 0.18 0.00 0.00 0.00 0.00 44.72 44.01 3ku4 s GLY 221 CO 0.07 -0.48 1.60 0.00 0.00 0.00 0.00 173.10 174.30 3ku4 h ALA 222 N -1.84 0.83 -3.81 3.20 0.00 -1.99 -3.43 119.26 112.22 3ku4 h ALA 222 Ca -0.44 -0.36 -0.66 0.00 0.00 0.00 0.00 54.91 53.45 3ku4 h ALA 222 Cb 1.22 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.62 3ku4 h ALA 222 CO 0.31 0.50 -0.87 -0.51 0.00 0.00 0.00 179.25 178.67 3ku4 s LEU 223 N -6.67 2.03 -0.29 0.00 1.43 -1.26 -5.12 118.68 108.81 3ku4 s LEU 223 Ca 0.02 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 3ku4 s LEU 223 Cb 0.09 -1.30 0.11 0.00 0.03 0.00 0.00 46.19 45.12 3ku4 s LEU 223 CO 0.70 0.20 0.66 0.00 0.23 0.00 0.00 176.35 178.15 3ku4 n SER 225 N 4.92 3.10 -3.11 0.00 3.41 -1.26 -5.02 113.62 115.67 3ku4 n SER 225 Ca -0.16 -1.99 -0.18 0.00 -0.26 0.00 0.00 58.87 56.28 3ku4 n SER 225 Cb 0.54 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 3ku4 n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ku4 n TYR 226 N 0.73 -0.29 -4.62 7.33 4.11 -1.26 -5.18 117.16 117.98 3ku4 n TYR 226 Ca 0.14 -2.22 -0.28 0.00 -0.00 0.00 0.00 57.90 55.54 3ku4 n TYR 226 Cb 0.46 0.12 -0.09 0.00 -0.00 0.00 0.00 39.34 39.84 3ku4 n TYR 226 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3ku4 s THR 227 N -2.96 1.10 0.33 -3.48 -4.23 -1.26 -5.01 115.64 100.13 3ku4 s THR 227 Ca 0.25 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3ku4 s THR 227 Cb 0.01 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.71 3ku4 s THR 227 CO 0.18 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.12 3ku4 h GLU 228 N 1.65 0.88 -0.40 3.99 4.57 -1.99 -1.33 114.58 121.95 3ku4 h GLU 228 Ca -0.41 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.60 3ku4 h GLU 228 Cb 1.28 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3ku4 h GLU 228 CO 0.69 0.58 -0.24 0.87 -1.18 0.00 0.00 179.01 179.73 3ku4 h LYS 229 N 0.91 0.82 -0.45 1.92 6.56 -1.99 -0.83 116.57 123.51 3ku4 h LYS 229 Ca 0.33 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3ku4 h LYS 229 Cb 0.16 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 3ku4 h LYS 229 CO -0.11 0.97 0.30 -0.44 -2.06 0.00 0.00 179.45 178.11 3ku4 h ASP 230 N 0.71 0.53 -0.28 0.86 3.32 -1.80 -0.74 116.42 119.00 3ku4 h ASP 230 Ca 0.09 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3ku4 h ASP 230 Cb 0.77 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3ku4 h ASP 230 CO 0.06 0.39 0.14 0.50 -1.72 0.00 0.00 179.24 178.61 3ku4 h LYS 231 N 0.61 0.28 -0.54 3.56 3.64 -0.76 -1.41 116.57 121.95 3ku4 h LYS 231 Ca 0.17 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3ku4 h LYS 231 Cb -0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3ku4 h LYS 231 CO -0.04 0.19 -0.12 1.96 -2.27 0.00 0.00 179.45 179.17 3ku4 h GLN 232 N 0.29 1.04 -0.52 1.90 1.08 -1.03 0.10 115.11 117.97 3ku4 h GLN 232 Ca 0.12 -0.39 0.06 0.00 -1.45 0.00 0.00 58.65 56.99 3ku4 h GLN 232 Cb 0.04 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 3ku4 h GLN 232 CO -0.09 1.09 0.22 -0.44 -0.95 0.00 0.00 178.83 178.66 3ku4 h ASP 233 N 0.92 0.26 -0.27 1.46 3.32 -0.89 0.50 116.42 121.72 3ku4 h ASP 233 Ca 0.14 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3ku4 h ASP 233 Cb 0.70 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3ku4 h ASP 233 CO 0.05 0.18 0.06 0.22 -1.72 0.00 0.00 179.24 178.03 3ku4 h TYR 234 N 0.42 0.47 -0.25 4.55 3.20 -0.61 -1.37 116.97 123.37 3ku4 h TYR 234 Ca 0.25 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3ku4 h TYR 234 Cb 0.23 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3ku4 h TYR 234 CO -0.14 0.53 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.61 3ku4 h LEU 235 N 0.27 0.47 -0.55 2.82 3.38 -0.49 0.24 115.31 121.44 3ku4 h LEU 235 Ca 0.08 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3ku4 h LEU 235 Cb 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ku4 h LEU 235 CO 0.00 0.71 -0.49 0.03 0.09 0.00 0.00 178.44 178.78 3ku4 h ARG 236 N 0.42 0.59 -0.54 1.13 2.47 -0.79 -0.03 114.38 117.64 3ku4 h ARG 236 Ca 0.06 -0.35 -0.09 0.00 -1.26 0.00 0.00 59.98 58.35 3ku4 h ARG 236 Cb 0.64 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 3ku4 h ARG 236 CO 0.05 0.95 0.00 0.00 0.56 0.00 0.00 179.97 181.53 3ku4 h ALA 237 N 0.99 0.73 -0.19 0.04 0.00 -0.94 -0.82 119.26 119.06 3ku4 h ALA 237 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ku4 h ALA 237 Cb 1.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ku4 h ALA 237 CO 0.10 0.54 0.12 0.00 0.00 0.00 0.00 179.25 180.01 3ku4 h ALA 238 N 0.95 0.24 -0.64 0.00 0.00 -0.72 -1.91 119.26 117.19 3ku4 h ALA 238 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ku4 h ALA 238 Cb 0.53 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ku4 h ALA 238 CO 0.03 -0.29 0.39 -0.92 0.00 0.00 0.00 179.25 178.46 3ku4 h TYR 239 N 0.25 0.73 -0.05 0.00 3.20 -0.80 -2.00 116.97 118.30 3ku4 h TYR 239 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3ku4 h TYR 239 Cb -0.02 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3ku4 h TYR 239 CO -0.07 0.42 -0.05 0.00 -1.64 0.00 0.00 178.16 176.82 3ku4 h ALA 240 N 1.28 1.84 -0.03 1.82 0.00 -0.89 0.20 119.26 123.47 3ku4 h ALA 240 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ku4 h ALA 240 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ku4 h ALA 240 CO -0.11 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3ku4 n ALA 241 N -2.52 2.56 -0.27 0.00 0.00 -0.74 -4.88 120.51 114.67 3ku4 n ALA 241 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3ku4 n ALA 241 Cb 0.15 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.77 0.82 3.72 0.00 0.00 0.06 -4.96 105.19 105.59 3ku4 n GLY 242 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.11 4.86 -0.13 -0.61 1.01 -0.93 -1.11 121.20 122.19 3ku4 s ILE 243 Ca 0.00 1.88 0.04 0.00 0.00 0.00 0.00 60.65 62.57 3ku4 s ILE 243 Cb 0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 3ku4 s ILE 243 CO 0.00 0.22 0.15 0.54 0.00 0.00 0.00 174.94 175.85 3ku4 n ARG 244 N 3.65 3.31 -3.83 2.79 5.12 0.35 -4.08 116.66 123.97 3ku4 n ARG 244 Ca 0.03 -0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.84 3ku4 n ARG 244 Cb 0.51 -0.87 -0.04 0.00 -1.16 0.00 0.00 32.46 30.89 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 -1.88 -0.20 -0.04 0.55 4.22 -1.20 -0.61 114.94 115.78 3ku4 s ASN 245 Ca 0.00 -0.63 0.01 0.00 -2.14 0.00 0.00 52.86 50.10 3ku4 s ASN 245 Cb 0.03 0.59 0.02 0.00 1.28 0.00 0.00 41.25 43.18 3ku4 s ASN 245 CO 0.19 -1.10 -0.03 -0.63 -2.04 0.00 0.00 177.10 173.48 3ku4 s ILE 246 N -3.92 0.43 0.00 0.54 1.01 0.24 -0.80 121.20 118.70 3ku4 s ILE 246 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3ku4 s ILE 246 Cb -0.01 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.98 3ku4 s ILE 246 CO 0.01 0.20 0.00 -1.84 0.00 0.00 0.00 174.94 173.31 3ku4 n GLU 247 N 4.06 0.00 -0.09 2.79 -0.00 -0.01 -1.65 120.64 125.74 3ku4 n GLU 247 Ca -0.25 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 56.93 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 1.50 0.00 3.44 2.81 -1.26 -1.98 117.12 121.63 3ku4 n MET 248 Ca 0.00 -1.48 0.00 0.00 -1.81 0.00 0.00 57.70 54.41 3ku4 n MET 248 Cb 0.00 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 -0.56 2.94 -0.32 0.03 4.71 -1.26 -3.34 120.64 122.84 3ku4 n GLU 249 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.21 3ku4 n GLU 249 Cb 0.46 -0.31 0.17 0.00 -1.01 0.00 0.00 31.44 30.75 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 1.26 0.37 0.62 0.00 -1.94 -2.88 119.26 116.69 3ku4 h ALA 250 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ku4 h ALA 250 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ku4 h ALA 250 CO 0.00 0.25 -0.31 0.77 0.00 0.00 0.00 179.25 179.96 3ku4 h SER 251 N 0.97 -0.83 -0.78 0.00 0.02 -1.91 -0.12 113.55 110.89 3ku4 h SER 251 Ca 0.41 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.37 3ku4 h SER 251 Cb 0.26 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3ku4 h SER 251 CO -0.20 -0.46 0.30 0.58 -1.14 0.00 0.00 176.83 175.90 3ku4 h VAL 252 N -0.69 1.26 -0.11 2.27 2.07 -1.94 0.71 116.25 119.82 3ku4 h VAL 252 Ca -0.03 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3ku4 h VAL 252 Cb 0.61 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3ku4 h VAL 252 CO -0.03 0.34 -0.14 0.15 0.02 0.00 0.00 177.57 177.91 3ku4 h PHE 253 N 1.15 -0.36 0.07 1.57 3.57 -1.33 0.78 116.94 122.38 3ku4 h PHE 253 Ca 0.26 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3ku4 h PHE 253 Cb 0.24 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3ku4 h PHE 253 CO 0.02 -0.21 -0.03 0.00 -2.23 0.00 0.00 178.31 175.86 3ku4 h ALA 254 N 0.87 -0.09 -0.42 2.41 0.00 -0.77 -1.56 119.26 119.70 3ku4 h ALA 254 Ca 0.09 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ku4 h ALA 254 Cb 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3ku4 h ALA 254 CO -0.22 -0.51 0.19 0.00 0.00 0.00 0.00 179.25 178.72 3ku4 h ALA 255 N 0.76 0.52 -0.29 0.00 0.00 -0.65 -0.63 119.26 118.96 3ku4 h ALA 255 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3ku4 h ALA 255 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ku4 h ALA 255 CO 0.01 -0.17 -0.15 0.52 0.00 0.00 0.00 179.25 179.46 3ku4 h MET 256 N 0.39 0.62 -0.58 0.00 2.07 -0.80 -1.76 114.93 114.89 3ku4 h MET 256 Ca 0.19 -0.28 -0.04 0.00 -2.07 0.00 0.00 59.70 57.50 3ku4 h MET 256 Cb 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 3ku4 h MET 256 CO -0.15 0.86 0.21 0.00 1.07 0.00 0.00 176.91 178.90 3ku4 h ASN 258 N 0.83 -0.01 -0.18 0.00 2.35 -0.97 0.20 115.58 117.81 3ku4 h ASN 258 Ca 0.19 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3ku4 h ASN 258 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3ku4 h ASN 258 CO -0.01 0.16 0.12 0.00 -1.65 0.00 0.00 177.43 176.05 3ku4 h ALA 259 N 0.82 1.87 -0.21 -0.83 0.00 -1.00 -1.38 119.26 118.53 3ku4 h ALA 259 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ku4 h ALA 259 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ku4 h ALA 259 CO 0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3ku4 n GLY 261 N 1.26 0.05 3.69 0.00 0.00 -0.52 -4.73 105.19 104.93 3ku4 n GLY 261 Ca 0.17 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.41 3.83 0.05 0.99 1.43 0.64 -5.02 118.68 117.20 3ku4 s LEU 262 Ca 0.00 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 3ku4 s LEU 262 Cb 0.00 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3ku4 s LEU 262 CO 0.00 0.27 1.21 -0.13 0.23 0.00 0.00 176.35 177.93 3ku4 s ARG 263 N -0.24 4.42 0.01 1.70 0.52 -1.26 -4.41 118.95 119.69 3ku4 s ARG 263 Ca 0.08 1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 56.94 3ku4 s ARG 263 Cb -0.12 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.00 3ku4 s ARG 263 CO 0.02 -0.28 0.25 0.00 0.02 0.00 0.00 175.30 175.30 3ku4 s ALA 264 N 1.18 -0.57 0.05 2.13 0.00 -1.26 -1.83 121.76 121.46 3ku4 s ALA 264 Ca 0.59 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 3ku4 s ALA 264 Cb -0.29 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3ku4 s ALA 264 CO 0.29 -0.30 0.05 0.00 0.00 0.00 0.00 175.76 175.79 3ku4 s ALA 265 N -1.85 0.19 -0.10 0.00 0.00 -0.35 -3.56 121.76 116.10 3ku4 s ALA 265 Ca -0.10 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3ku4 s ALA 265 Cb -0.04 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3ku4 s ALA 265 CO 0.00 -0.37 -0.17 0.08 0.00 0.00 0.00 175.76 175.30 3ku4 s VAL 266 N -3.43 1.59 -0.24 0.00 1.01 -1.26 -1.11 120.40 116.96 3ku4 s VAL 266 Ca 0.02 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3ku4 s VAL 266 Cb 0.04 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 35.06 3ku4 s VAL 266 CO -0.08 0.46 -0.00 -0.69 0.00 0.00 0.00 175.10 174.78 3ku4 s VAL 267 N 0.74 1.23 -0.00 2.92 1.01 0.11 -1.58 120.40 124.83 3ku4 s VAL 267 Ca -0.12 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.77 3ku4 s VAL 267 Cb -0.16 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3ku4 s VAL 267 CO 0.02 -0.25 -0.21 0.00 0.00 0.00 0.00 175.10 174.66 3ku4 s VAL 269 N -0.56 4.86 0.05 0.00 0.11 -0.61 -0.68 120.40 123.57 3ku4 s VAL 269 Ca 0.08 0.87 -0.20 0.00 -2.93 0.00 0.00 61.98 59.79 3ku4 s VAL 269 Cb -0.08 -3.75 -0.06 0.00 -1.53 0.00 0.00 36.38 30.95 3ku4 s VAL 269 CO -0.00 0.30 0.60 0.42 -3.33 0.00 0.00 175.10 173.09 3ku4 s THR 270 N -1.40 4.77 -0.79 5.04 -4.23 0.12 -0.98 115.64 118.17 3ku4 s THR 270 Ca 0.36 1.28 0.22 0.00 -1.18 0.00 0.00 61.69 62.37 3ku4 s THR 270 Cb -0.16 -3.94 -0.20 0.00 1.34 0.00 0.00 72.50 69.55 3ku4 s THR 270 CO 0.19 0.50 0.92 0.18 -0.54 0.00 0.00 174.62 175.86 3ku4 n LEU 271 N 2.12 0.73 -3.51 4.79 4.77 -0.48 -0.41 117.00 125.02 3ku4 n LEU 271 Ca -0.08 -0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.52 3ku4 n LEU 271 Cb 0.51 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3ku4 n LEU 271 CO 0.43 0.16 0.67 -1.48 -1.33 0.00 0.00 177.39 175.84 3ku4 s LEU 272 N -3.38 -0.37 -0.43 2.23 2.34 -1.26 -4.74 118.68 113.07 3ku4 s LEU 272 Ca 0.05 -0.02 -0.16 0.00 0.06 0.00 0.00 54.13 54.07 3ku4 s LEU 272 Cb 0.16 2.07 0.03 0.00 -0.56 0.00 0.00 46.19 47.88 3ku4 s LEU 272 CO 0.84 -0.65 0.38 0.21 -1.06 0.00 0.00 176.35 176.07 3ku4 s ASN 273 N -2.52 6.15 0.35 1.48 2.47 -1.26 -0.63 114.94 120.97 3ku4 s ASN 273 Ca 0.05 -0.88 0.06 0.00 0.42 0.00 0.00 52.86 52.51 3ku4 s ASN 273 Cb -0.01 -2.19 0.72 0.00 -1.45 0.00 0.00 41.25 38.32 3ku4 s ASN 273 CO -0.09 -0.54 1.91 0.03 -3.72 0.00 0.00 177.10 174.69 3ku4 h ARG 274 N 8.70 0.77 -0.05 0.43 3.08 -1.14 -0.09 114.38 126.08 3ku4 h ARG 274 Ca -0.27 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.75 3ku4 h ARG 274 Cb 1.11 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3ku4 h ARG 274 CO 0.78 0.51 0.30 -0.07 -1.07 0.00 0.00 179.97 180.42 3ku4 h LEU 275 N 0.79 0.00 -1.68 3.04 3.38 -1.93 0.94 115.31 119.86 3ku4 h LEU 275 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3ku4 h LEU 275 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ku4 h LEU 275 CO -0.15 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.76 3ku4 n GLU 276 N -3.04 2.14 0.00 1.13 1.02 -0.05 -5.06 120.64 116.77 3ku4 n GLU 276 Ca -0.01 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 3ku4 n GLU 276 Cb 0.37 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.31 -1.03 0.96 0.62 0.00 0.33 -4.84 105.19 102.54 3ku4 n GLY 277 Ca 0.16 -2.25 0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 3.32 -4.72 1.61 8.00 -1.26 -4.10 116.55 119.39 3ku4 n ASP 278 Ca 0.00 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3ku4 n ASP 278 Cb 0.00 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.05 4.45 -0.58 -1.24 0.00 -1.26 -4.99 119.66 114.99 3ku4 s GLN 279 Ca 0.34 1.83 -0.22 0.00 -0.00 0.00 0.00 55.36 57.31 3ku4 s GLN 279 Cb 0.18 -3.30 0.06 0.00 0.00 0.00 0.00 33.01 29.95 3ku4 s GLN 279 CO 0.24 -0.20 0.85 0.42 0.00 0.00 0.00 175.29 176.61 3ku4 s ILE 280 N 0.64 4.52 -0.33 3.63 1.01 -1.26 -4.88 121.20 124.52 3ku4 s ILE 280 Ca 0.57 -0.19 0.15 0.00 0.00 0.00 0.00 60.65 61.18 3ku4 s ILE 280 Cb -0.31 -4.52 0.74 0.00 0.01 0.00 0.00 42.46 38.38 3ku4 s ILE 280 CO 0.32 -1.14 1.66 -1.54 0.00 0.00 0.00 174.94 174.24 3ku4 n SER 281 N 7.14 5.19 -4.85 3.58 3.41 -1.26 -4.94 113.62 121.89 3ku4 n SER 281 Ca -0.03 -2.89 -0.37 0.00 -0.26 0.00 0.00 58.87 55.32 3ku4 n SER 281 Cb 0.46 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 3ku4 n SER 281 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ku4 s SER 282 N -1.07 6.65 1.00 4.04 0.01 -1.26 -5.09 113.70 117.98 3ku4 s SER 282 Ca 0.51 0.78 -0.11 0.00 1.31 0.00 0.00 55.95 58.44 3ku4 s SER 282 Cb 0.39 -2.18 0.19 0.00 0.21 0.00 0.00 66.02 64.63 3ku4 s SER 282 CO 0.15 0.35 1.10 -2.84 0.41 0.00 0.00 173.24 172.40 3ku4 s PRO 283 N -1.12 0.36 0.11 12.44 0.02 -1.26 -4.73 135.00 140.82 3ku4 s PRO 283 Ca 0.21 1.23 -0.22 0.00 0.02 0.00 0.00 61.00 62.25 3ku4 s PRO 283 Cb -0.15 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 3ku4 s PRO 283 CO 0.11 -2.98 1.71 1.25 -0.33 0.00 0.00 177.00 176.75 3ku4 h HIS 284 N -2.11 -0.15 -0.27 6.54 -0.00 -1.99 -1.38 115.15 115.79 3ku4 h HIS 284 Ca -0.50 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.87 3ku4 h HIS 284 Cb 1.29 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.77 3ku4 h HIS 284 CO 0.41 -0.10 0.11 -0.44 -0.00 0.00 0.00 177.93 177.91 3ku4 h ASP 285 N -0.07 0.33 -0.15 3.26 3.32 -1.99 -0.55 116.42 120.56 3ku4 h ASP 285 Ca 0.06 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 3ku4 h ASP 285 Cb 0.15 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ku4 h ASP 285 CO -0.13 0.31 -0.61 0.58 -1.72 0.00 0.00 179.24 177.67 3ku4 h VAL 286 N 0.38 1.32 -0.89 -1.35 2.07 -1.81 -2.76 116.25 113.20 3ku4 h VAL 286 Ca 0.10 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 3ku4 h VAL 286 Cb 0.08 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3ku4 h VAL 286 CO -0.01 0.58 0.49 -0.07 0.02 0.00 0.00 177.57 178.58 3ku4 h LEU 287 N 0.37 1.11 -1.03 2.57 3.38 -0.82 -1.74 115.31 119.15 3ku4 h LEU 287 Ca -0.03 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3ku4 h LEU 287 Cb 1.24 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 3ku4 h LEU 287 CO 0.13 0.89 0.64 0.00 0.09 0.00 0.00 178.44 180.19 3ku4 h ALA 288 N 1.29 1.46 -0.17 1.53 0.00 -1.01 -0.10 119.26 122.26 3ku4 h ALA 288 Ca 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3ku4 h ALA 288 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ku4 h ALA 288 CO -0.05 0.36 -0.01 1.49 0.00 0.00 0.00 179.25 181.04 3ku4 h GLU 289 N 1.10 0.31 -0.93 0.00 4.57 -1.15 -3.09 114.58 115.39 3ku4 h GLU 289 Ca 0.45 -0.10 0.11 0.00 -1.18 0.00 0.00 59.36 58.64 3ku4 h GLU 289 Cb 0.28 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 3ku4 h GLU 289 CO -0.20 0.54 0.56 1.88 -1.18 0.00 0.00 179.01 180.61 3ku4 h TYR 290 N 0.05 1.02 -0.16 0.92 0.99 -0.52 -1.56 116.97 117.71 3ku4 h TYR 290 Ca 0.05 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.85 3ku4 h TYR 290 Cb 0.40 -0.32 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 3ku4 h TYR 290 CO 0.04 0.41 0.12 1.96 -0.00 0.00 0.00 178.16 180.68 3ku4 h GLN 291 N 0.91 0.02 0.00 4.88 1.08 -0.96 -2.17 115.11 118.87 3ku4 h GLN 291 Ca 0.45 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 3ku4 h GLN 291 Cb 0.43 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3ku4 h GLN 291 CO -0.26 0.01 -0.48 1.04 -0.95 0.00 0.00 178.83 178.19 3ku4 n GLN 292 N -4.49 0.13 -0.11 1.46 6.02 -0.59 -4.43 117.38 115.37 3ku4 n GLN 292 Ca 0.01 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 3ku4 n GLN 292 Cb 0.23 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 0.47 -0.49 -1.09 3.08 -1.35 -0.45 114.38 114.54 3ku4 h ARG 293 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3ku4 h ARG 293 Cb 0.61 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3ku4 h ARG 293 CO 0.00 0.35 0.18 -1.35 -1.07 0.00 0.00 179.97 178.09 3ku4 h PRO 294 N 0.45 0.71 -0.55 0.04 0.11 -1.78 -1.23 132.00 129.75 3ku4 h PRO 294 Ca 0.12 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 3ku4 h PRO 294 Cb 0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3ku4 h PRO 294 CO -0.02 0.59 0.01 0.37 -0.21 0.00 0.00 178.00 178.74 3ku4 h GLN 295 N 0.70 0.95 -0.42 1.05 4.15 -1.68 -0.69 115.11 119.17 3ku4 h GLN 295 Ca 0.17 -0.30 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 3ku4 h GLN 295 Cb 0.16 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3ku4 h GLN 295 CO -0.01 0.96 -0.00 0.00 -1.93 0.00 0.00 178.83 177.84 3ku4 h ARG 296 N 0.83 0.75 0.20 1.69 3.08 -0.65 0.95 114.38 121.24 3ku4 h ARG 296 Ca 0.16 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3ku4 h ARG 296 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3ku4 h ARG 296 CO 0.03 0.82 -0.10 1.25 -1.07 0.00 0.00 179.97 180.90 3ku4 h LEU 297 N 0.58 -0.23 -1.10 3.04 5.85 -1.07 -1.66 115.31 120.72 3ku4 h LEU 297 Ca 0.12 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ku4 h LEU 297 Cb 0.49 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3ku4 h LEU 297 CO 0.02 -0.13 0.58 0.58 -0.34 0.00 0.00 178.44 179.15 3ku4 h VAL 298 N -0.31 1.23 -0.81 1.05 2.07 -1.05 -1.13 116.25 117.30 3ku4 h VAL 298 Ca -0.03 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3ku4 h VAL 298 Cb 0.24 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 3ku4 h VAL 298 CO 0.05 0.23 0.53 1.23 0.02 0.00 0.00 177.57 179.63 3ku4 h GLY 299 N 1.22 1.13 0.90 2.17 0.00 -0.63 -1.42 103.07 106.43 3ku4 h GLY 299 Ca 0.33 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3ku4 h GLY 299 CO -0.07 0.25 -0.35 -1.61 0.00 0.00 0.00 176.54 174.76 3ku4 h GLN 300 N 0.87 0.58 -0.22 4.80 5.75 -0.26 -0.63 115.11 126.00 3ku4 h GLN 300 Ca 0.35 -0.36 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3ku4 h GLN 300 Cb 0.26 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 3ku4 h GLN 300 CO -0.13 0.97 0.01 0.35 -2.65 0.00 0.00 178.83 177.39 3ku4 h PHE 301 N 0.25 0.01 -0.64 3.99 3.04 -1.05 -0.77 116.94 121.77 3ku4 h PHE 301 Ca 0.01 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 3ku4 h PHE 301 Cb 0.94 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 3ku4 h PHE 301 CO 0.09 -0.02 0.14 0.82 -2.02 0.00 0.00 178.31 177.32 3ku4 h ILE 302 N 0.08 1.26 -0.54 1.41 2.04 -1.24 -1.30 117.51 119.22 3ku4 h ILE 302 Ca 0.10 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3ku4 h ILE 302 Cb 0.12 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3ku4 h ILE 302 CO -0.16 0.36 0.23 0.50 0.00 0.00 0.00 178.15 179.08 3ku4 h LYS 303 N 0.96 0.42 -0.37 2.37 3.64 -0.86 -2.13 116.57 120.61 3ku4 h LYS 303 Ca 0.20 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 3ku4 h LYS 303 Cb 0.39 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3ku4 h LYS 303 CO 0.01 0.28 -0.21 0.87 -2.27 0.00 0.00 179.45 178.13 3ku4 h LYS 304 N 0.43 0.79 -0.83 1.90 1.57 -0.81 -2.78 116.57 116.84 3ku4 h LYS 304 Ca 0.26 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3ku4 h LYS 304 Cb 0.25 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3ku4 h LYS 304 CO -0.23 0.98 0.55 0.00 -0.57 0.00 0.00 179.45 180.18 3ku4 h ARG 305 N 0.58 1.00 -0.00 3.15 2.47 -1.08 -2.17 114.38 118.33 3ku4 h ARG 305 Ca 0.08 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3ku4 h ARG 305 Cb 0.76 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3ku4 h ARG 305 CO 0.06 0.66 -0.07 1.28 0.56 0.00 0.00 179.97 182.46 3ku4 n LEU 306 N -4.45 0.54 -0.96 3.04 4.77 -0.81 -5.11 117.00 114.02 3ku4 n LEU 306 Ca 0.11 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3ku4 n LEU 306 Cb 0.11 -0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3ku4 n LEU 306 CO 0.35 0.10 0.63 0.23 -1.33 0.00 0.00 177.39 177.36