#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx4 s LYS 3 N 0.00 0.93 0.32 0.38 2.20 0.82 -5.03 119.74 119.37 3kx4 s LYS 3 Ca 0.00 -1.28 -0.28 0.00 -0.36 0.00 0.00 55.97 54.06 3kx4 s LYS 3 Cb 0.00 -0.57 -0.09 0.00 -1.51 0.00 0.00 37.83 35.65 3kx4 s LYS 3 CO 0.00 0.08 1.07 -2.00 -0.36 0.00 0.00 175.35 174.14 3kx4 s GLU 4 N -3.17 4.50 -0.01 4.03 2.12 -1.26 -4.58 118.70 120.33 3kx4 s GLU 4 Ca 0.10 1.67 -0.30 0.00 0.36 0.00 0.00 54.97 56.80 3kx4 s GLU 4 Cb -0.01 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 3kx4 s GLU 4 CO 0.00 0.12 1.20 1.41 -0.54 0.00 0.00 175.26 177.45 3kx4 s MET 5 N -1.78 4.39 0.46 4.30 -2.45 -1.26 -4.99 119.30 117.96 3kx4 s MET 5 Ca 0.49 1.70 -0.21 0.00 -1.25 0.00 0.00 55.69 56.42 3kx4 s MET 5 Cb -0.28 -3.48 -0.12 0.00 1.25 0.00 0.00 34.83 32.20 3kx4 s MET 5 CO 0.36 -0.37 0.46 -2.30 1.05 0.00 0.00 175.02 174.22 3kx4 n PRO 6 N 4.71 0.49 -3.63 4.11 -0.02 -1.26 -4.71 135.00 134.68 3kx4 n PRO 6 Ca 0.10 0.18 -0.14 0.00 -2.02 0.00 0.00 63.50 61.62 3kx4 n PRO 6 Cb 0.46 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 3kx4 n PRO 6 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kx4 s GLN 7 N -1.61 0.82 1.23 -0.52 0.74 -1.26 -0.97 119.66 118.09 3kx4 s GLN 7 Ca 0.64 0.87 -0.20 0.00 0.05 0.00 0.00 55.36 56.71 3kx4 s GLN 7 Cb -0.56 0.40 0.30 0.00 1.10 0.00 0.00 33.01 34.25 3kx4 s GLN 7 CO 0.58 -0.12 1.12 -1.25 -0.55 0.00 0.00 175.29 175.08 3kx4 s PRO 8 N 0.19 -1.43 0.28 1.67 0.05 -1.26 -4.92 135.00 129.58 3kx4 s PRO 8 Ca -0.01 -0.19 -0.30 0.00 0.05 0.00 0.00 61.00 60.55 3kx4 s PRO 8 Cb -0.04 -1.58 -0.11 0.00 0.05 0.00 0.00 34.50 32.82 3kx4 s PRO 8 CO 0.02 -3.83 1.48 0.21 0.05 0.00 0.00 177.00 174.93 3kx4 s LYS 9 N -5.51 4.22 0.17 4.56 2.47 -1.26 -4.93 119.74 119.45 3kx4 s LYS 9 Ca 0.72 2.40 0.03 0.00 -1.56 0.00 0.00 55.97 57.56 3kx4 s LYS 9 Cb -0.08 -3.07 -0.03 0.00 -1.46 0.00 0.00 37.83 33.19 3kx4 s LYS 9 CO 0.56 -0.48 0.30 0.95 0.16 0.00 0.00 175.35 176.84 3kx4 s THR 10 N -0.15 5.31 -0.57 3.43 -4.23 -1.26 -4.35 115.64 113.82 3kx4 s THR 10 Ca 0.60 -0.73 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3kx4 s THR 10 Cb -0.44 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 69.84 3kx4 s THR 10 CO 0.47 -0.14 0.54 0.49 -0.54 0.00 0.00 174.62 175.43 3kx4 n PHE 11 N -0.72 1.87 -2.22 3.99 3.01 0.11 -4.92 117.46 118.57 3kx4 n PHE 11 Ca -0.07 -3.93 0.00 0.00 1.01 0.00 0.00 57.45 54.46 3kx4 n PHE 11 Cb 0.55 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3kx4 n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kx4 n GLY 12 N 1.75 2.32 0.05 1.37 0.00 -1.26 -1.73 105.19 107.69 3kx4 n GLY 12 Ca 0.25 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3kx4 n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kx4 n GLU 13 N 14.00 0.05 0.23 1.61 0.00 -1.26 -1.15 120.64 134.12 3kx4 n GLU 13 Ca 0.00 0.46 0.13 0.00 0.00 0.00 0.00 57.16 57.74 3kx4 n GLU 13 Cb 0.00 -1.63 0.29 0.00 0.00 0.00 0.00 31.44 30.10 3kx4 n GLU 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3kx4 h LEU 14 N 0.00 0.00 0.00 -1.84 3.38 -1.76 -3.39 115.31 111.70 3kx4 h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kx4 h LEU 14 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kx4 h LEU 14 CO 0.00 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.85 3kx4 n LYS 15 N -3.11 0.00 -0.00 1.13 4.76 -0.30 -2.02 118.16 118.62 3kx4 n LYS 15 Ca 0.03 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.61 3kx4 n LYS 15 Cb 0.49 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 34.23 3kx4 n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kx4 n ASN 16 N 3.65 1.40 -0.24 4.39 5.03 -0.16 -0.72 115.26 128.61 3kx4 n ASN 16 Ca 0.00 -1.47 0.10 0.00 0.87 0.00 0.00 54.58 54.08 3kx4 n ASN 16 Cb 0.00 -0.00 0.36 0.00 -1.02 0.00 0.00 39.78 39.12 3kx4 n ASN 16 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3kx4 h LEU 17 N 2.19 0.67 -1.87 3.41 5.85 -1.48 0.06 115.31 124.14 3kx4 h LEU 17 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3kx4 h LEU 17 Cb 0.46 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3kx4 h LEU 17 CO 0.00 0.38 0.00 -0.65 -0.34 0.00 0.00 178.44 177.83 3kx4 h PRO 18 N 0.73 0.00 0.00 5.25 0.11 -1.80 -0.22 132.00 136.06 3kx4 h PRO 18 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3kx4 h PRO 18 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3kx4 h PRO 18 CO -0.16 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.56 3kx4 h LEU 19 N 0.00 0.00 -6.26 2.35 3.38 -1.32 -3.35 115.31 110.10 3kx4 h LEU 19 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3kx4 h LEU 19 Cb 0.11 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.50 3kx4 h LEU 19 CO 0.00 0.00 -0.03 0.18 0.09 0.00 0.00 178.44 178.68 3kx4 n LEU 20 N -2.33 5.04 -3.31 1.67 4.77 -0.09 -4.91 117.00 117.83 3kx4 n LEU 20 Ca 0.05 -5.41 -0.36 0.00 -0.03 0.00 0.00 56.01 50.26 3kx4 n LEU 20 Cb 0.42 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3kx4 n LEU 20 CO 0.30 2.00 1.01 -0.46 -1.33 0.00 0.00 177.39 178.90 3kx4 n ASN 21 N 0.71 6.40 -3.79 -1.43 6.94 -1.26 -4.97 115.26 117.88 3kx4 n ASN 21 Ca 0.31 -3.70 -0.12 0.00 -0.02 0.00 0.00 54.58 51.04 3kx4 n ASN 21 Cb 0.37 -0.95 -0.08 0.00 -2.36 0.00 0.00 39.78 36.76 3kx4 n ASN 21 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3kx4 s THR 22 N -4.50 0.08 -2.13 5.53 -1.32 -1.26 -5.02 115.64 107.01 3kx4 s THR 22 Ca 0.44 -0.62 0.18 0.00 -1.21 0.00 0.00 61.69 60.47 3kx4 s THR 22 Cb 0.25 -0.72 0.45 0.00 -1.51 0.00 0.00 72.50 70.96 3kx4 s THR 22 CO -0.16 -0.34 1.56 0.47 -2.21 0.00 0.00 174.62 173.94 3kx4 n ASP 23 N 1.02 0.92 -3.15 8.08 8.00 -1.26 -4.34 116.55 125.82 3kx4 n ASP 23 Ca -0.21 -1.63 -0.25 0.00 0.71 0.00 0.00 54.79 53.41 3kx4 n ASP 23 Cb 0.57 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.55 3kx4 n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kx4 n LYS 24 N -0.15 2.28 0.03 -1.24 5.02 -1.26 -4.44 118.16 118.40 3kx4 n LYS 24 Ca 0.14 -4.31 -0.04 0.00 -2.02 0.00 0.00 58.31 52.09 3kx4 n LYS 24 Cb 0.20 -2.01 0.19 0.00 -0.02 0.00 0.00 35.03 33.40 3kx4 n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kx4 h PRO 25 N 3.42 0.43 -0.61 1.97 0.13 -1.96 -1.68 132.00 133.69 3kx4 h PRO 25 Ca 0.13 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 3kx4 h PRO 25 Cb 0.69 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 3kx4 h PRO 25 CO 0.71 0.70 0.24 0.28 -0.23 0.00 0.00 178.00 179.70 3kx4 h VAL 26 N 0.37 1.23 -0.26 1.56 2.07 -1.97 0.49 116.25 119.74 3kx4 h VAL 26 Ca 0.05 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3kx4 h VAL 26 Cb 0.75 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3kx4 h VAL 26 CO 0.06 0.29 -0.27 1.56 0.02 0.00 0.00 177.57 179.22 3kx4 h GLN 27 N 0.86 0.52 -0.72 1.57 4.20 -1.93 -0.57 115.11 119.04 3kx4 h GLN 27 Ca 0.20 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3kx4 h GLN 27 Cb 0.22 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3kx4 h GLN 27 CO -0.01 0.75 0.24 0.00 -0.67 0.00 0.00 178.83 179.14 3kx4 h ALA 28 N 1.25 0.94 -0.08 3.87 0.00 -0.73 -3.01 119.26 121.50 3kx4 h ALA 28 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3kx4 h ALA 28 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kx4 h ALA 28 CO 0.05 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 179.35 3kx4 h LEU 29 N 1.05 0.22 -0.83 0.00 3.38 0.57 -1.70 115.31 118.01 3kx4 h LEU 29 Ca 0.23 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kx4 h LEU 29 Cb 0.28 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3kx4 h LEU 29 CO -0.01 0.68 0.52 0.24 0.09 0.00 0.00 178.44 179.96 3kx4 h MET 30 N 0.17 1.11 -0.18 1.13 2.86 -1.08 0.13 114.93 119.06 3kx4 h MET 30 Ca 0.01 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 3kx4 h MET 30 Cb 0.93 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3kx4 h MET 30 CO 0.07 0.77 -0.49 0.87 1.06 0.00 0.00 176.91 179.19 3kx4 h LYS 31 N 1.13 0.49 -0.62 1.72 1.57 -1.30 -0.67 116.57 118.88 3kx4 h LYS 31 Ca 0.30 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3kx4 h LYS 31 Cb -0.07 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3kx4 h LYS 31 CO -0.06 0.87 0.32 0.82 -0.57 0.00 0.00 179.45 180.83 3kx4 h ILE 32 N 0.39 1.21 -0.41 1.86 2.04 -1.02 -2.49 117.51 119.09 3kx4 h ILE 32 Ca 0.02 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3kx4 h ILE 32 Cb 1.00 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3kx4 h ILE 32 CO 0.09 0.23 0.15 0.00 0.00 0.00 0.00 178.15 178.62 3kx4 h ALA 33 N 1.15 1.50 0.00 1.87 0.00 -0.42 0.15 119.26 123.50 3kx4 h ALA 33 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kx4 h ALA 33 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kx4 h ALA 33 CO -0.03 0.38 -0.19 -0.44 0.00 0.00 0.00 179.25 178.97 3kx4 h ASP 34 N 0.58 0.00 0.18 0.00 3.32 -0.70 -0.06 116.42 119.73 3kx4 h ASP 34 Ca 0.14 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.84 3kx4 h ASP 34 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3kx4 h ASP 34 CO -0.01 0.19 -1.80 -0.33 -1.72 0.00 0.00 179.24 175.57 3kx4 h GLU 35 N 0.00 0.37 0.00 3.56 4.39 -0.81 -3.41 114.58 118.69 3kx4 h GLU 35 Ca -0.00 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.06 3kx4 h GLU 35 Cb 0.38 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3kx4 h GLU 35 CO 0.02 1.30 -1.66 1.28 -1.16 0.00 0.00 179.01 178.80 3kx4 n LEU 36 N -3.58 0.23 0.00 1.33 4.77 -0.09 -5.10 117.00 114.56 3kx4 n LEU 36 Ca -0.26 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3kx4 n LEU 36 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 3kx4 n LEU 36 CO 0.50 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3kx4 n GLY 37 N 1.40 -1.49 0.27 -0.72 0.00 -0.04 -4.66 105.19 99.95 3kx4 n GLY 37 Ca -0.02 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.19 3kx4 n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kx4 h GLU 38 N 0.00 0.00 -2.83 1.61 4.11 -1.93 -3.43 114.58 112.11 3kx4 h GLU 38 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 3kx4 h GLU 38 Cb 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 28.97 3kx4 h GLU 38 CO 0.00 0.00 -0.37 -1.50 0.07 0.00 0.00 179.01 177.21 3kx4 s ILE 39 N -3.77 -0.03 -0.01 -1.06 2.07 -1.26 -0.93 121.20 116.22 3kx4 s ILE 39 Ca -0.01 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.28 3kx4 s ILE 39 Cb 0.10 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 42.19 3kx4 s ILE 39 CO 0.46 0.04 0.12 0.72 -1.91 0.00 0.00 174.94 174.37 3kx4 s PHE 40 N 1.18 0.00 0.33 3.50 -0.12 -0.82 -4.33 117.98 117.73 3kx4 s PHE 40 Ca -0.08 -0.02 -0.21 0.00 -0.05 0.00 0.00 56.93 56.57 3kx4 s PHE 40 Cb -0.08 -0.03 -0.10 0.00 -0.63 0.00 0.00 43.02 42.18 3kx4 s PHE 40 CO -0.09 -0.21 0.85 0.21 -0.05 0.00 0.00 175.22 175.93 3kx4 s LYS 41 N -0.93 4.28 -0.05 1.99 2.20 -0.14 -0.50 119.74 126.59 3kx4 s LYS 41 Ca -0.10 1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 56.52 3kx4 s LYS 41 Cb -0.06 -2.55 0.03 0.00 -1.51 0.00 0.00 37.83 33.74 3kx4 s LYS 41 CO 0.01 0.18 0.04 0.12 -0.36 0.00 0.00 175.35 175.35 3kx4 s PHE 42 N -1.85 0.21 0.00 4.03 2.19 0.75 -4.13 117.98 119.18 3kx4 s PHE 42 Ca 0.53 0.15 0.07 0.00 0.33 0.00 0.00 56.93 58.01 3kx4 s PHE 42 Cb -0.13 -0.54 -0.03 0.00 -1.31 0.00 0.00 43.02 41.01 3kx4 s PHE 42 CO 0.19 -0.21 -0.21 -1.21 1.83 0.00 0.00 175.22 175.60 3kx4 s GLU 43 N 2.03 2.14 0.30 10.12 2.02 -1.26 -1.87 118.70 132.17 3kx4 s GLU 43 Ca 0.04 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3kx4 s GLU 43 Cb -0.12 -2.15 -0.06 0.00 0.10 0.00 0.00 34.13 31.89 3kx4 s GLU 43 CO -0.03 0.56 0.05 0.00 0.02 0.00 0.00 175.26 175.86 3kx4 s ALA 44 N -0.77 2.18 -0.12 5.21 0.00 0.20 -0.99 121.76 127.47 3kx4 s ALA 44 Ca 0.12 -1.98 -0.36 0.00 0.00 0.00 0.00 51.96 49.74 3kx4 s ALA 44 Cb -0.10 0.69 -0.13 0.00 0.00 0.00 0.00 23.12 23.58 3kx4 s ALA 44 CO 0.02 -0.32 1.80 -2.30 0.00 0.00 0.00 175.76 174.95 3kx4 n PRO 45 N -0.61 1.83 -0.69 0.00 -0.02 -1.26 -1.21 135.00 133.04 3kx4 n PRO 45 Ca -0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3kx4 n PRO 45 Cb 0.66 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3kx4 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx4 n GLY 46 N 4.19 0.76 3.11 -1.23 0.00 -1.26 -4.99 105.19 105.78 3kx4 n GLY 46 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 3kx4 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kx4 s ARG 47 N -0.35 1.00 -0.02 1.61 0.52 -0.35 -5.14 118.95 116.22 3kx4 s ARG 47 Ca 0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 3kx4 s ARG 47 Cb 0.00 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.49 3kx4 s ARG 47 CO 0.00 0.26 0.08 0.08 0.02 0.00 0.00 175.30 175.73 3kx4 s VAL 48 N -0.54 0.02 0.21 3.52 1.01 -1.26 -0.63 120.40 122.73 3kx4 s VAL 48 Ca 0.03 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 3kx4 s VAL 48 Cb -0.06 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.18 3kx4 s VAL 48 CO 0.00 -0.11 0.62 0.28 0.00 0.00 0.00 175.10 175.89 3kx4 s THR 49 N -0.33 0.01 -0.14 3.92 -1.32 -0.78 -4.68 115.64 112.32 3kx4 s THR 49 Ca -0.04 -0.57 0.02 0.00 -1.21 0.00 0.00 61.69 59.90 3kx4 s THR 49 Cb -0.03 -1.51 0.01 0.00 -1.51 0.00 0.00 72.50 69.47 3kx4 s THR 49 CO 0.00 -0.03 -0.21 -0.13 -2.21 0.00 0.00 174.62 172.03 3kx4 s ARG 50 N -3.84 2.95 -0.23 7.08 0.52 -1.08 -0.18 118.95 124.18 3kx4 s ARG 50 Ca 0.07 -0.83 -0.13 0.00 -0.52 0.00 0.00 55.73 54.32 3kx4 s ARG 50 Cb -0.03 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3kx4 s ARG 50 CO -0.03 -0.02 0.28 0.71 0.02 0.00 0.00 175.30 176.26 3kx4 s TYR 51 N 0.84 3.33 -0.11 -0.53 1.51 0.35 -0.81 117.35 121.94 3kx4 s TYR 51 Ca -0.07 0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 56.36 3kx4 s TYR 51 Cb -0.15 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 3kx4 s TYR 51 CO -0.02 0.00 0.05 -0.51 -1.11 0.00 0.00 175.55 173.96 3kx4 s LEU 52 N 1.27 3.84 0.00 -1.29 1.02 -0.12 -1.95 118.68 121.45 3kx4 s LEU 52 Ca 0.13 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.51 3kx4 s LEU 52 Cb -0.14 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.16 3kx4 s LEU 52 CO 0.07 0.35 0.05 -1.20 0.02 0.00 0.00 176.35 175.64 3kx4 n SER 53 N 2.32 0.10 -4.83 2.29 7.64 -0.10 -1.67 113.62 119.37 3kx4 n SER 53 Ca -0.19 -0.41 -0.31 0.00 1.01 0.00 0.00 58.87 58.98 3kx4 n SER 53 Cb 0.54 0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.96 3kx4 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kx4 s SER 54 N -0.28 5.84 0.29 6.43 1.04 -1.25 -3.14 113.70 122.63 3kx4 s SER 54 Ca 0.00 0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 3kx4 s SER 54 Cb 0.00 -1.66 0.40 0.00 0.10 0.00 0.00 66.02 64.86 3kx4 s SER 54 CO 0.00 0.17 1.96 -0.61 0.98 0.00 0.00 173.24 175.74 3kx4 h GLN 55 N 3.22 1.13 -0.29 4.02 -0.00 -1.87 -0.07 115.11 121.25 3kx4 h GLN 55 Ca -0.46 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.15 3kx4 h GLN 55 Cb 1.16 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 28.36 3kx4 h GLN 55 CO 0.70 0.76 0.09 -0.09 0.00 0.00 0.00 178.83 180.28 3kx4 h ARG 56 N 1.16 0.21 0.09 1.69 2.43 -1.94 -0.57 114.38 117.46 3kx4 h ARG 56 Ca 0.31 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.21 3kx4 h ARG 56 Cb -0.12 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3kx4 h ARG 56 CO -0.07 0.14 -1.16 -0.07 -1.51 0.00 0.00 179.97 177.30 3kx4 h LEU 57 N 0.22 0.33 -0.63 3.80 3.38 -1.88 -3.27 115.31 117.25 3kx4 h LEU 57 Ca 0.13 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3kx4 h LEU 57 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kx4 h LEU 57 CO -0.14 1.26 -0.21 0.40 0.09 0.00 0.00 178.44 179.83 3kx4 h ILE 58 N 0.07 1.27 -0.67 1.22 2.04 -0.90 -1.44 117.51 119.09 3kx4 h ILE 58 Ca -0.10 -1.34 0.12 0.00 1.00 0.00 0.00 64.86 64.53 3kx4 h ILE 58 Cb 1.89 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 39.06 3kx4 h ILE 58 CO 0.18 0.45 0.23 0.50 0.00 0.00 0.00 178.15 179.52 3kx4 h LYS 59 N 0.74 0.38 -0.39 2.37 3.64 -1.19 0.78 116.57 122.90 3kx4 h LYS 59 Ca 0.10 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3kx4 h LYS 59 Cb 0.75 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3kx4 h LYS 59 CO 0.06 0.25 0.13 0.93 -2.27 0.00 0.00 179.45 178.55 3kx4 h GLU 60 N 0.39 0.60 0.00 1.90 5.08 -1.53 -2.74 114.58 118.29 3kx4 h GLU 60 Ca 0.35 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3kx4 h GLU 60 Cb 0.49 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kx4 h GLU 60 CO -0.37 0.60 -0.10 0.00 -1.00 0.00 0.00 179.01 178.13 3kx4 h ALA 61 N 0.98 1.32 -0.11 3.43 0.00 -0.18 -1.74 119.26 122.95 3kx4 h ALA 61 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kx4 h ALA 61 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kx4 h ALA 61 CO -0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3kx4 s ASP 63 N -1.54 6.16 0.22 0.00 -1.08 -0.66 -4.89 116.67 114.89 3kx4 s ASP 63 Ca 0.30 0.41 0.23 0.00 -0.52 0.00 0.00 52.55 52.97 3kx4 s ASP 63 Cb 0.15 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.99 3kx4 s ASP 63 CO 0.24 -1.66 1.71 -0.62 0.52 0.00 0.00 175.17 175.36 3kx4 n GLU 64 N 8.53 0.19 0.20 4.34 1.02 -1.26 -1.00 120.64 132.66 3kx4 n GLU 64 Ca 0.13 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.77 3kx4 n GLU 64 Cb 0.49 -1.82 0.46 0.00 -0.02 0.00 0.00 31.44 30.56 3kx4 n GLU 64 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kx4 h SER 65 N 0.00 0.00 0.00 1.62 4.64 -1.97 -3.35 113.55 114.48 3kx4 h SER 65 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3kx4 h SER 65 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3kx4 h SER 65 CO 0.00 0.00 -1.56 0.54 -0.87 0.00 0.00 176.83 174.94 3kx4 n ARG 66 N -2.77 2.39 -4.06 4.77 1.74 -0.17 -4.90 116.66 113.66 3kx4 n ARG 66 Ca 0.03 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 3kx4 n ARG 66 Cb 0.37 -1.22 -0.12 0.00 -1.02 0.00 0.00 32.46 30.48 3kx4 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kx4 s PHE 67 N -2.25 0.60 0.19 -1.55 0.08 -0.25 -0.98 117.98 113.83 3kx4 s PHE 67 Ca -0.04 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3kx4 s PHE 67 Cb 0.03 -0.36 -0.05 0.00 -0.57 0.00 0.00 43.02 42.07 3kx4 s PHE 67 CO 0.35 -0.09 0.00 0.34 -0.10 0.00 0.00 175.22 175.72 3kx4 s ASP 68 N -1.45 1.39 0.19 1.36 2.15 -0.79 -4.12 116.67 115.39 3kx4 s ASP 68 Ca -0.10 -1.19 -0.32 0.00 0.43 0.00 0.00 52.55 51.38 3kx4 s ASP 68 Cb -0.09 0.09 -0.11 0.00 -0.30 0.00 0.00 42.92 42.50 3kx4 s ASP 68 CO 0.00 -0.55 1.67 -0.75 -0.17 0.00 0.00 175.17 175.37 3kx4 s LYS 69 N -3.90 4.16 -0.01 4.34 2.20 -1.26 -1.13 119.74 124.14 3kx4 s LYS 69 Ca 0.25 2.52 -0.05 0.00 -0.36 0.00 0.00 55.97 58.33 3kx4 s LYS 69 Cb 0.06 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 3kx4 s LYS 69 CO 0.05 -0.71 0.22 1.21 -0.36 0.00 0.00 175.35 175.76 3kx4 s ASN 70 N 1.27 6.43 -0.51 1.43 2.47 -0.04 -4.70 114.94 121.28 3kx4 s ASN 70 Ca 0.73 0.46 -0.26 0.00 0.42 0.00 0.00 52.86 54.21 3kx4 s ASN 70 Cb -0.47 -2.05 0.03 0.00 -1.45 0.00 0.00 41.25 37.31 3kx4 s ASN 70 CO 0.32 0.27 0.99 -0.76 -3.72 0.00 0.00 177.10 174.21 3kx4 s LEU 71 N -1.76 3.91 0.94 3.21 1.43 -1.26 -4.51 118.68 120.64 3kx4 s LEU 71 Ca 0.26 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 3kx4 s LEU 71 Cb -0.13 -3.10 0.16 0.00 0.03 0.00 0.00 46.19 43.15 3kx4 s LEU 71 CO 0.16 -1.20 1.12 -0.94 0.23 0.00 0.00 176.35 175.72 3kx4 s SER 72 N 2.59 2.75 0.42 2.29 1.04 -1.26 -4.68 113.70 116.84 3kx4 s SER 72 Ca 0.37 2.06 0.19 0.00 0.48 0.00 0.00 55.95 59.04 3kx4 s SER 72 Cb -0.10 -2.52 1.11 0.00 0.10 0.00 0.00 66.02 64.61 3kx4 s SER 72 CO 0.24 -3.19 1.82 -0.61 0.98 0.00 0.00 173.24 172.48 3kx4 h GLN 73 N -1.93 0.37 -0.03 4.02 5.75 -1.98 0.13 115.11 121.44 3kx4 h GLN 73 Ca -0.46 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3kx4 h GLN 73 Cb 1.28 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 3kx4 h GLN 73 CO 0.44 0.25 0.01 0.00 -2.65 0.00 0.00 178.83 176.88 3kx4 h ALA 74 N 1.60 0.04 -0.17 3.38 0.00 -1.93 -1.58 119.26 120.60 3kx4 h ALA 74 Ca 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 3kx4 h ALA 74 Cb 1.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3kx4 h ALA 74 CO -0.22 -0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 178.49 3kx4 h LEU 75 N -0.08 0.23 -0.71 0.00 3.38 -1.59 -1.34 115.31 115.20 3kx4 h LEU 75 Ca 0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3kx4 h LEU 75 Cb 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kx4 h LEU 75 CO -0.00 0.35 -0.17 0.11 0.09 0.00 0.00 178.44 178.82 3kx4 h LYS 76 N 0.24 0.81 -0.10 1.13 1.57 -0.44 0.80 116.57 120.60 3kx4 h LYS 76 Ca 0.05 -0.30 -0.23 0.00 -1.87 0.00 0.00 60.65 58.30 3kx4 h LYS 76 Cb 0.29 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3kx4 h LYS 76 CO 0.01 0.92 -0.84 0.74 -0.57 0.00 0.00 179.45 179.72 3kx4 h PHE 77 N 0.72 0.93 0.00 -1.35 0.04 -0.85 -2.78 116.94 113.65 3kx4 h PHE 77 Ca 0.11 -0.44 -0.02 0.00 2.80 0.00 0.00 57.97 60.42 3kx4 h PHE 77 Cb 0.68 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 3kx4 h PHE 77 CO 0.04 1.26 -0.09 0.28 -0.60 0.00 0.00 178.31 179.19 3kx4 h VAL 78 N 0.44 0.81 0.00 -0.55 2.07 -1.03 -2.33 116.25 115.66 3kx4 h VAL 78 Ca -0.07 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3kx4 h VAL 78 Cb 1.46 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kx4 h VAL 78 CO 0.16 0.09 -0.18 -0.09 0.02 0.00 0.00 177.57 177.57 3kx4 h ARG 79 N 0.00 0.00 -0.69 1.57 2.43 -0.54 -0.54 114.38 116.60 3kx4 h ARG 79 Ca -0.00 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.35 3kx4 h ARG 79 Cb 0.20 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3kx4 h ARG 79 CO 0.01 0.18 0.49 -0.44 -1.51 0.00 0.00 179.97 178.70 3kx4 h ASP 80 N 0.00 0.10 0.00 -3.80 3.32 -1.45 0.70 116.42 115.29 3kx4 h ASP 80 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kx4 h ASP 80 Cb 0.39 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3kx4 h ASP 80 CO 0.02 0.05 -1.20 2.22 -1.72 0.00 0.00 179.24 178.61 3kx4 n PHE 81 N -4.38 0.00 1.01 4.55 -1.74 -0.69 -4.65 117.46 111.57 3kx4 n PHE 81 Ca 0.14 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.13 3kx4 n PHE 81 Cb 0.69 -0.15 0.03 0.00 1.52 0.00 0.00 39.48 41.57 3kx4 n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kx4 n ALA 82 N -1.68 4.21 -0.89 1.98 0.00 -0.30 -4.96 120.51 118.86 3kx4 n ALA 82 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3kx4 n ALA 82 Cb 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3kx4 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx4 n GLY 83 N 1.49 2.91 2.57 0.00 0.00 0.23 -2.01 105.19 110.37 3kx4 n GLY 83 Ca 0.05 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3kx4 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kx4 n ASP 84 N 2.75 7.20 -4.27 1.61 5.75 -1.26 -4.54 116.55 123.78 3kx4 n ASP 84 Ca 0.00 -3.80 -0.29 0.00 -0.01 0.00 0.00 54.79 50.69 3kx4 n ASP 84 Cb 0.00 -0.93 0.23 0.00 -1.03 0.00 0.00 41.12 39.39 3kx4 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kx4 s GLY 85 N -1.77 1.54 0.39 6.12 0.00 -0.85 -4.64 107.32 108.10 3kx4 s GLY 85 Ca 0.57 -0.51 0.08 0.00 0.00 0.00 0.00 44.72 44.87 3kx4 s GLY 85 CO -0.20 0.26 1.98 1.41 0.00 0.00 0.00 173.10 176.56 3kx4 h LEU 86 N -2.49 0.55 -0.12 0.66 3.38 -1.89 -2.98 115.31 112.42 3kx4 h LEU 86 Ca -0.54 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.23 3kx4 h LEU 86 Cb 1.33 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3kx4 h LEU 86 CO 0.47 0.36 -0.95 0.15 0.09 0.00 0.00 178.44 178.56 3kx4 h PHE 87 N 0.63 0.06 -0.12 1.13 3.57 -1.94 -3.29 116.94 116.99 3kx4 h PHE 87 Ca 0.27 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3kx4 h PHE 87 Cb 0.27 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 3kx4 h PHE 87 CO -0.00 0.96 -0.22 0.25 -2.23 0.00 0.00 178.31 177.07 3kx4 n THR 88 N -3.45 2.22 -3.98 4.41 -2.24 -1.19 -5.00 114.28 105.06 3kx4 n THR 88 Ca -0.01 -2.74 -0.33 0.00 -2.27 0.00 0.00 64.05 58.71 3kx4 n THR 88 Cb 0.89 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 3kx4 n THR 88 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kx4 s SER 89 N -2.84 6.09 0.42 3.42 0.01 -1.13 -4.77 113.70 114.90 3kx4 s SER 89 Ca 0.39 0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.66 3kx4 s SER 89 Cb 0.35 -1.84 -0.10 0.00 0.21 0.00 0.00 66.02 64.65 3kx4 s SER 89 CO -0.01 0.24 1.00 0.26 0.41 0.00 0.00 173.24 175.13 3kx4 s TRP 90 N -1.33 3.28 0.47 2.43 0.52 -1.26 -4.96 118.94 118.09 3kx4 s TRP 90 Ca 0.28 1.64 0.22 0.00 0.02 0.00 0.00 56.10 58.25 3kx4 s TRP 90 Cb -0.12 -2.99 1.23 0.00 -1.15 0.00 0.00 33.47 30.44 3kx4 s TRP 90 CO 0.19 -0.38 1.92 1.15 0.02 0.00 0.00 176.95 179.86 3kx4 h THR 91 N 1.99 0.71 0.00 2.01 2.02 -1.97 -1.88 112.91 115.79 3kx4 h THR 91 Ca -0.49 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3kx4 h THR 91 Cb 1.20 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3kx4 h THR 91 CO 0.61 0.04 -0.13 0.00 0.37 0.00 0.00 175.52 176.41 3kx4 n HIS 92 N -4.42 0.43 -2.23 3.16 1.44 -1.26 -4.48 115.22 107.86 3kx4 n HIS 92 Ca 0.15 0.12 -0.41 0.00 -2.01 0.00 0.00 57.72 55.57 3kx4 n HIS 92 Cb 0.66 -0.66 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3kx4 n HIS 92 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kx4 s GLU 93 N -3.06 4.43 0.29 -1.40 2.02 -0.71 -4.89 118.70 115.37 3kx4 s GLU 93 Ca 0.11 2.06 -0.02 0.00 0.02 0.00 0.00 54.97 57.15 3kx4 s GLU 93 Cb 0.16 -3.15 0.44 0.00 0.10 0.00 0.00 34.13 31.68 3kx4 s GLU 93 CO 0.60 -0.14 1.93 -0.22 0.02 0.00 0.00 175.26 177.45 3kx4 h LYS 94 N 4.33 1.11 0.00 1.61 3.64 -1.89 -1.00 116.57 124.36 3kx4 h LYS 94 Ca -0.47 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 3kx4 h LYS 94 Cb 1.22 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3kx4 h LYS 94 CO 0.71 0.73 -0.30 -0.91 -2.27 0.00 0.00 179.45 177.41 3kx4 h ASN 95 N 1.14 0.00 0.36 4.20 2.35 -1.91 -0.66 115.58 121.06 3kx4 h ASN 95 Ca 0.36 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 3kx4 h ASN 95 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3kx4 h ASN 95 CO -0.11 0.30 -0.17 -0.25 -1.65 0.00 0.00 177.43 175.55 3kx4 h TRP 96 N 0.00 -0.45 -0.54 1.19 7.01 -1.46 -1.62 115.95 120.07 3kx4 h TRP 96 Ca -0.00 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.03 3kx4 h TRP 96 Cb 0.75 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 3kx4 h TRP 96 CO 0.00 -0.16 0.29 0.87 -2.79 0.00 0.00 178.44 176.65 3kx4 h LYS 97 N -0.70 0.54 -0.16 2.65 1.79 -1.16 0.69 116.57 120.22 3kx4 h LYS 97 Ca -0.05 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3kx4 h LYS 97 Cb 0.49 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3kx4 h LYS 97 CO 0.08 0.36 0.04 0.87 -1.08 0.00 0.00 179.45 179.72 3kx4 h LYS 98 N 0.56 0.26 -0.41 3.15 1.57 -1.18 -2.63 116.57 117.88 3kx4 h LYS 98 Ca 0.24 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3kx4 h LYS 98 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3kx4 h LYS 98 CO -0.15 0.40 -0.17 0.00 -0.57 0.00 0.00 179.45 178.95 3kx4 h ALA 99 N 0.85 0.92 -0.42 3.86 0.00 -1.04 0.17 119.26 123.60 3kx4 h ALA 99 Ca 0.05 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3kx4 h ALA 99 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3kx4 h ALA 99 CO -0.00 0.62 0.10 1.25 0.00 0.00 0.00 179.25 181.22 3kx4 h HIS 100 N 0.70 0.17 0.04 0.00 -0.00 -0.84 -0.06 115.15 115.15 3kx4 h HIS 100 Ca 0.11 0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 60.25 3kx4 h HIS 100 Cb 0.68 -0.01 0.02 0.00 -0.00 0.00 0.00 27.41 28.10 3kx4 h HIS 100 CO 0.04 0.03 -1.00 -0.91 -0.00 0.00 0.00 177.93 176.08 3kx4 h ASN 101 N 0.24 0.82 -0.59 3.26 2.35 -1.08 -2.96 115.58 117.62 3kx4 h ASN 101 Ca 0.20 -0.77 -0.11 0.00 -0.55 0.00 0.00 56.30 55.08 3kx4 h ASN 101 Cb 0.24 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3kx4 h ASN 101 CO -0.25 1.49 -0.05 0.40 -1.65 0.00 0.00 177.43 177.37 3kx4 h ILE 102 N 0.24 1.27 0.00 2.81 2.04 -0.81 -3.22 117.51 119.84 3kx4 h ILE 102 Ca -0.14 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3kx4 h ILE 102 Cb 1.68 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3kx4 h ILE 102 CO 0.20 0.44 -0.42 0.18 0.00 0.00 0.00 178.15 178.54 3kx4 n LEU 103 N -4.16 0.58 -0.06 1.44 4.77 -0.05 -4.26 117.00 115.26 3kx4 n LEU 103 Ca 0.02 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 3kx4 n LEU 103 Cb 0.37 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3kx4 n LEU 103 CO 0.45 -0.03 0.69 0.25 -1.33 0.00 0.00 177.39 177.42 3kx4 h LEU 104 N 0.00 -0.83 -1.84 2.23 5.85 -1.53 0.00 115.31 119.20 3kx4 h LEU 104 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3kx4 h LEU 104 Cb 0.66 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3kx4 h LEU 104 CO 0.00 -0.29 -0.07 1.55 -0.34 0.00 0.00 178.44 179.29 3kx4 h PRO 105 N -0.26 0.00 0.00 5.25 0.14 -1.81 -2.46 132.00 132.87 3kx4 h PRO 105 Ca 0.14 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.28 3kx4 h PRO 105 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.62 3kx4 h PRO 105 CO -0.41 0.07 0.00 0.43 0.14 0.00 0.00 178.00 178.23 3kx4 n SER 106 N -3.29 0.36 0.00 1.44 7.64 -0.03 -3.65 113.62 116.09 3kx4 n SER 106 Ca -0.01 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3kx4 n SER 106 Cb 0.26 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3kx4 n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kx4 n PHE 107 N -1.88 0.00 -1.45 1.43 3.72 -0.94 -4.84 117.46 113.51 3kx4 n PHE 107 Ca 0.04 -0.26 -0.30 0.00 -0.05 0.00 0.00 57.45 56.88 3kx4 n PHE 107 Cb 0.26 -0.03 0.10 0.00 -0.94 0.00 0.00 39.48 38.87 3kx4 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kx4 s SER 108 N -0.51 4.28 0.26 4.37 1.04 -1.14 -4.44 113.70 117.55 3kx4 s SER 108 Ca 0.00 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.81 3kx4 s SER 108 Cb 0.00 -2.13 0.50 0.00 0.10 0.00 0.00 66.02 64.49 3kx4 s SER 108 CO 0.00 -2.12 1.76 -0.61 0.98 0.00 0.00 173.24 173.25 3kx4 h GLN 109 N -1.19 0.57 -0.61 4.02 5.75 -1.93 -2.01 115.11 119.72 3kx4 h GLN 109 Ca -0.47 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 3kx4 h GLN 109 Cb 1.27 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 3kx4 h GLN 109 CO 0.57 0.38 0.35 1.96 -2.65 0.00 0.00 178.83 179.44 3kx4 h GLN 110 N 0.59 0.83 0.00 1.69 1.08 -1.92 -1.96 115.11 115.42 3kx4 h GLN 110 Ca 0.44 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 3kx4 h GLN 110 Cb 0.62 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3kx4 h GLN 110 CO -0.36 0.60 -0.04 0.00 -0.95 0.00 0.00 178.83 178.08 3kx4 h ALA 111 N 1.54 1.10 -0.05 3.87 0.00 -1.58 -2.61 119.26 121.53 3kx4 h ALA 111 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kx4 h ALA 111 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kx4 h ALA 111 CO -0.04 0.05 -0.17 0.52 0.00 0.00 0.00 179.25 179.61 3kx4 h MET 112 N 0.00 0.09 -0.94 0.00 2.86 -1.26 -1.18 114.93 114.48 3kx4 h MET 112 Ca -0.00 -0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.82 3kx4 h MET 112 Cb 0.27 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 3kx4 h MET 112 CO 0.01 0.26 0.61 0.87 1.06 0.00 0.00 176.91 179.71 3kx4 h LYS 113 N 0.08 0.53 0.00 1.72 1.57 -1.61 -0.37 116.57 118.50 3kx4 h LYS 113 Ca 0.02 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3kx4 h LYS 113 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3kx4 h LYS 113 CO 0.02 0.35 -0.53 0.78 -0.57 0.00 0.00 179.45 179.51 3kx4 h GLY 114 N 0.55 0.00 0.53 3.86 0.00 -1.39 -3.23 103.07 103.39 3kx4 h GLY 114 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3kx4 h GLY 114 CO -0.25 0.00 -1.33 -1.72 0.00 0.00 0.00 176.54 173.24 3kx4 n TYR 115 N -3.69 0.42 -0.26 5.60 4.01 -0.28 -4.56 117.16 118.41 3kx4 n TYR 115 Ca -0.01 0.12 -0.01 0.00 -0.16 0.00 0.00 57.90 57.85 3kx4 n TYR 115 Cb 0.58 -0.63 0.06 0.00 -0.31 0.00 0.00 39.34 39.04 3kx4 n TYR 115 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3kx4 h HIS 116 N 0.00 -0.67 -0.73 -0.72 2.76 -1.22 -1.12 115.15 113.45 3kx4 h HIS 116 Ca 0.00 0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3kx4 h HIS 116 Cb 0.91 0.41 -0.04 0.00 1.55 0.00 0.00 27.41 30.23 3kx4 h HIS 116 CO 0.00 -0.36 0.47 0.00 -1.30 0.00 0.00 177.93 176.74 3kx4 h ALA 117 N 1.44 0.94 -0.49 5.26 0.00 -1.80 0.13 119.26 124.74 3kx4 h ALA 117 Ca 0.32 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3kx4 h ALA 117 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kx4 h ALA 117 CO -0.77 0.29 -0.21 0.52 0.00 0.00 0.00 179.25 179.08 3kx4 h MET 118 N 0.94 1.00 -0.58 0.00 2.07 -1.64 -0.56 114.93 116.15 3kx4 h MET 118 Ca 0.28 -0.43 0.06 0.00 -2.07 0.00 0.00 59.70 57.55 3kx4 h MET 118 Cb -0.05 -0.03 -0.06 0.00 -1.87 0.00 0.00 31.60 29.59 3kx4 h MET 118 CO -0.08 1.10 0.28 0.52 1.07 0.00 0.00 176.91 179.80 3kx4 h MET 119 N 0.86 0.51 -0.62 1.72 2.86 -0.63 -2.00 114.93 117.63 3kx4 h MET 119 Ca 0.11 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3kx4 h MET 119 Cb 0.79 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3kx4 h MET 119 CO 0.07 0.34 0.29 0.28 1.06 0.00 0.00 176.91 178.95 3kx4 h VAL 120 N 0.52 1.20 0.02 -2.22 2.07 -0.51 -1.72 116.25 115.62 3kx4 h VAL 120 Ca 0.27 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3kx4 h VAL 120 Cb 0.23 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3kx4 h VAL 120 CO -0.21 0.24 -0.17 -0.78 0.02 0.00 0.00 177.57 176.66 3kx4 h ASP 121 N 0.87 -0.51 -0.02 0.57 1.82 -0.36 -0.63 116.42 118.17 3kx4 h ASP 121 Ca 0.21 0.07 -0.12 0.00 -0.39 0.00 0.00 57.03 56.81 3kx4 h ASP 121 Cb 0.09 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 3kx4 h ASP 121 CO -0.03 -0.24 -0.35 0.40 -1.61 0.00 0.00 179.24 177.41 3kx4 h ILE 122 N -0.30 1.29 -0.74 2.25 1.08 -1.27 -2.77 117.51 117.06 3kx4 h ILE 122 Ca 0.05 -1.46 -0.05 0.00 -0.39 0.00 0.00 64.86 63.01 3kx4 h ILE 122 Cb 0.36 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 3kx4 h ILE 122 CO -0.15 0.46 0.28 0.00 -0.69 0.00 0.00 178.15 178.05 3kx4 h ALA 123 N 1.20 0.96 -0.64 1.87 0.00 -0.84 -1.85 119.26 119.97 3kx4 h ALA 123 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3kx4 h ALA 123 Cb 0.81 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3kx4 h ALA 123 CO 0.07 0.60 0.17 0.28 0.00 0.00 0.00 179.25 180.36 3kx4 h VAL 124 N 1.07 1.25 -0.75 0.00 2.07 -1.01 -1.43 116.25 117.45 3kx4 h VAL 124 Ca 0.24 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3kx4 h VAL 124 Cb 0.23 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3kx4 h VAL 124 CO -0.02 0.34 0.39 1.56 0.02 0.00 0.00 177.57 179.86 3kx4 h GLN 125 N 0.95 1.05 -0.13 1.57 4.20 -1.14 0.88 115.11 122.50 3kx4 h GLN 125 Ca 0.21 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3kx4 h GLN 125 Cb 0.32 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kx4 h GLN 125 CO -0.00 0.79 0.01 1.25 -0.67 0.00 0.00 178.83 180.21 3kx4 h LEU 126 N 1.06 0.22 -0.26 1.46 7.12 -0.99 -1.23 115.31 122.69 3kx4 h LEU 126 Ca 0.26 -0.29 0.02 0.00 0.13 0.00 0.00 57.88 58.00 3kx4 h LEU 126 Cb 0.06 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 3kx4 h LEU 126 CO -0.04 0.45 0.12 0.58 -0.13 0.00 0.00 178.44 179.43 3kx4 h VAL 127 N -0.02 0.98 -0.81 1.05 2.07 -0.93 -2.02 116.25 116.56 3kx4 h VAL 127 Ca 0.04 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kx4 h VAL 127 Cb 0.34 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3kx4 h VAL 127 CO 0.01 0.05 0.47 1.56 0.02 0.00 0.00 177.57 179.67 3kx4 h GLN 128 N 0.26 1.11 -0.13 1.57 4.20 -0.77 0.28 115.11 121.62 3kx4 h GLN 128 Ca 0.11 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3kx4 h GLN 128 Cb 0.04 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.54 3kx4 h GLN 128 CO -0.08 0.79 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.47 3kx4 h LYS 129 N 1.12 -0.23 -0.27 1.46 3.64 -0.70 -1.70 116.57 119.90 3kx4 h LYS 129 Ca 0.29 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3kx4 h LYS 129 Cb -0.01 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3kx4 h LYS 129 CO -0.05 -0.15 -0.14 -1.49 -2.27 0.00 0.00 179.45 175.34 3kx4 h TRP 130 N -0.24 0.50 0.00 1.91 6.55 -0.94 -2.38 115.95 121.35 3kx4 h TRP 130 Ca 0.10 -0.08 -0.04 0.00 0.95 0.00 0.00 58.89 59.82 3kx4 h TRP 130 Cb 0.38 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 3kx4 h TRP 130 CO -0.30 0.60 -0.17 0.93 -1.05 0.00 0.00 178.44 178.45 3kx4 h GLU 131 N 0.43 0.00 -0.16 0.49 4.39 -0.51 -2.99 114.58 116.23 3kx4 h GLU 131 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3kx4 h GLU 131 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3kx4 h GLU 131 CO 0.03 0.17 0.00 0.54 -1.16 0.00 0.00 179.01 178.59 3kx4 n ARG 132 N -4.17 2.02 -2.20 2.33 1.74 -0.68 -4.93 116.66 110.78 3kx4 n ARG 132 Ca -0.02 -1.52 -0.38 0.00 -0.77 0.00 0.00 57.85 55.15 3kx4 n ARG 132 Cb 0.24 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 3kx4 n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kx4 s LEU 133 N -1.72 4.16 0.73 0.55 1.43 -1.13 -5.02 118.68 117.67 3kx4 s LEU 133 Ca 0.34 2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 55.78 3kx4 s LEU 133 Cb 0.20 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.41 3kx4 s LEU 133 CO 0.30 -0.80 1.07 0.20 0.23 0.00 0.00 176.35 177.35 3kx4 s ASN 134 N -1.05 5.11 0.30 2.29 0.01 -1.26 -4.95 114.94 115.38 3kx4 s ASN 134 Ca 0.59 1.52 0.01 0.00 -0.71 0.00 0.00 52.86 54.26 3kx4 s ASN 134 Cb -0.33 -2.35 0.71 0.00 0.41 0.00 0.00 41.25 39.69 3kx4 s ASN 134 CO 0.41 -1.60 1.59 0.00 -1.51 0.00 0.00 177.10 175.99 3kx4 h ALA 135 N -0.83 1.14 -0.12 0.60 0.00 -2.00 -1.76 119.26 116.30 3kx4 h ALA 135 Ca -0.45 0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kx4 h ALA 135 Cb 1.23 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3kx4 h ALA 135 CO 0.58 -0.54 0.23 0.22 0.00 0.00 0.00 179.25 179.73 3kx4 h ASP 136 N 0.05 0.00 -2.21 0.00 1.82 -2.03 -3.47 116.42 110.57 3kx4 h ASP 136 Ca 0.57 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 56.73 3kx4 h ASP 136 Cb 1.16 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.15 3kx4 h ASP 136 CO -0.85 0.00 -0.46 -1.61 -1.61 0.00 0.00 179.24 174.71 3kx4 s GLU 137 N -4.39 3.29 0.43 0.28 2.02 -0.66 -5.10 118.70 114.57 3kx4 s GLU 137 Ca -0.04 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3kx4 s GLU 137 Cb 0.13 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 3kx4 s GLU 137 CO 0.44 0.43 0.09 -3.38 0.02 0.00 0.00 175.26 172.86 3kx4 s HIS 138 N -2.01 1.83 -0.07 1.61 -3.43 -1.26 -4.76 115.29 107.20 3kx4 s HIS 138 Ca 0.34 -1.18 0.04 0.00 -0.80 0.00 0.00 55.06 53.46 3kx4 s HIS 138 Cb -0.09 -1.28 -0.01 0.00 -1.43 0.00 0.00 32.58 29.77 3kx4 s HIS 138 CO 0.28 -0.14 -0.21 0.42 -2.00 0.00 0.00 174.74 173.09 3kx4 s ILE 139 N -3.13 2.42 -0.44 -5.38 1.01 -0.12 -4.99 121.20 110.57 3kx4 s ILE 139 Ca 0.21 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 3kx4 s ILE 139 Cb 0.03 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kx4 s ILE 139 CO 0.12 0.56 0.54 -1.61 0.00 0.00 0.00 174.94 174.55 3kx4 s GLU 140 N -0.11 3.16 -0.04 2.79 2.02 -1.26 -2.50 118.70 122.76 3kx4 s GLU 140 Ca -0.04 -0.66 -0.17 0.00 0.02 0.00 0.00 54.97 54.12 3kx4 s GLU 140 Cb -0.14 -3.99 -0.10 0.00 0.10 0.00 0.00 34.13 30.00 3kx4 s GLU 140 CO 0.04 -0.97 0.71 0.28 0.02 0.00 0.00 175.26 175.34 3kx4 h VAL 141 N 5.80 0.21 -0.31 2.63 2.07 -1.64 -1.85 116.25 123.16 3kx4 h VAL 141 Ca -0.26 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3kx4 h VAL 141 Cb 1.10 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3kx4 h VAL 141 CO 0.86 0.05 0.14 1.55 0.02 0.00 0.00 177.57 180.19 3kx4 h PRO 142 N -1.07 0.42 -0.19 1.57 0.13 -1.87 -0.23 132.00 130.76 3kx4 h PRO 142 Ca -0.05 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3kx4 h PRO 142 Cb 0.45 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3kx4 h PRO 142 CO 0.08 0.34 0.10 0.93 -0.23 0.00 0.00 178.00 179.21 3kx4 h GLU 143 N 0.42 0.26 -0.09 0.86 3.07 -1.91 -1.59 114.58 115.61 3kx4 h GLU 143 Ca 0.11 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 3kx4 h GLU 143 Cb 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3kx4 h GLU 143 CO -0.01 0.27 -0.58 -0.44 -1.40 0.00 0.00 179.01 176.85 3kx4 h ASP 144 N 0.19 0.31 0.08 1.42 3.32 -0.90 -2.09 116.42 118.75 3kx4 h ASP 144 Ca 0.06 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3kx4 h ASP 144 Cb 0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3kx4 h ASP 144 CO -0.01 0.82 -0.29 0.24 -1.72 0.00 0.00 179.24 178.28 3kx4 h MET 145 N 0.21 0.34 -0.06 3.56 2.86 -0.93 -1.58 114.93 119.33 3kx4 h MET 145 Ca -0.00 -0.13 -0.23 0.00 -2.06 0.00 0.00 59.70 57.28 3kx4 h MET 145 Cb 1.07 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.72 3kx4 h MET 145 CO 0.09 0.60 -0.89 1.15 1.06 0.00 0.00 176.91 178.93 3kx4 h THR 146 N 0.30 1.33 -0.36 2.22 2.02 -1.13 -0.96 112.91 116.32 3kx4 h THR 146 Ca 0.04 -2.20 0.06 0.00 0.77 0.00 0.00 66.41 65.08 3kx4 h THR 146 Cb 0.67 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 3kx4 h THR 146 CO 0.05 0.68 0.05 0.03 0.37 0.00 0.00 175.52 176.69 3kx4 h ARG 147 N 0.37 0.15 -0.05 6.66 3.08 -1.21 -0.47 114.38 122.92 3kx4 h ARG 147 Ca -0.08 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3kx4 h ARG 147 Cb 1.51 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 3kx4 h ARG 147 CO 0.17 0.10 -0.05 1.25 -1.07 0.00 0.00 179.97 180.37 3kx4 h LEU 148 N 0.16 -0.16 -0.26 3.04 7.12 -1.17 -2.22 115.31 121.82 3kx4 h LEU 148 Ca 0.18 0.03 -0.21 0.00 0.13 0.00 0.00 57.88 58.01 3kx4 h LEU 148 Cb 0.22 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 3kx4 h LEU 148 CO -0.25 -0.08 -0.76 0.71 -0.13 0.00 0.00 178.44 177.93 3kx4 h THR 149 N -0.07 1.32 -0.25 1.05 1.35 -0.92 -0.91 112.91 114.47 3kx4 h THR 149 Ca 0.04 -2.04 0.03 0.00 -0.55 0.00 0.00 66.41 63.89 3kx4 h THR 149 Cb 0.13 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 3kx4 h THR 149 CO -0.09 0.63 0.08 -0.07 -0.25 0.00 0.00 175.52 175.82 3kx4 h LEU 150 N 0.44 0.08 -0.81 3.87 3.38 -1.14 -1.40 115.31 119.73 3kx4 h LEU 150 Ca -0.04 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3kx4 h LEU 150 Cb 1.37 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3kx4 h LEU 150 CO 0.15 0.08 -0.42 0.44 0.09 0.00 0.00 178.44 178.78 3kx4 h ASP 151 N 0.19 0.40 -0.41 -0.43 5.19 -1.23 -1.26 116.42 118.87 3kx4 h ASP 151 Ca 0.11 -0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 3kx4 h ASP 151 Cb 0.09 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 3kx4 h ASP 151 CO -0.12 0.77 -0.17 0.74 -3.12 0.00 0.00 179.24 177.34 3kx4 h THR 152 N 0.31 1.27 -0.04 0.35 2.02 -0.98 -1.53 112.91 114.31 3kx4 h THR 152 Ca 0.03 -1.30 -0.20 0.00 0.77 0.00 0.00 66.41 65.71 3kx4 h THR 152 Cb 0.87 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3kx4 h THR 152 CO 0.07 0.44 -0.82 0.40 0.37 0.00 0.00 175.52 175.98 3kx4 h ILE 153 N 0.78 1.40 -0.47 3.11 2.04 -1.08 -0.34 117.51 122.95 3kx4 h ILE 153 Ca 0.12 -2.31 -0.02 0.00 1.00 0.00 0.00 64.86 63.64 3kx4 h ILE 153 Cb 0.70 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 3kx4 h ILE 153 CO 0.05 0.69 0.20 1.23 0.00 0.00 0.00 178.15 180.32 3kx4 h GLY 154 N 1.34 0.74 0.96 5.37 0.00 -1.12 0.43 103.07 110.79 3kx4 h GLY 154 Ca -0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.71 3kx4 h GLY 154 CO 0.14 0.37 -0.63 -2.00 0.00 0.00 0.00 176.54 174.42 3kx4 h LEU 155 N 0.61 0.71 -0.06 3.11 5.85 -1.09 -1.37 115.31 123.07 3kx4 h LEU 155 Ca 0.16 -0.66 -0.14 0.00 0.84 0.00 0.00 57.88 58.07 3kx4 h LEU 155 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3kx4 h LEU 155 CO -0.02 1.26 -0.67 0.00 -0.34 0.00 0.00 178.44 178.68 3kx4 h GLY 157 N 3.22 -0.00 -3.32 0.00 0.00 -0.14 -1.20 103.07 101.62 3kx4 h GLY 157 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3kx4 h GLY 157 CO 0.09 -0.00 -0.76 1.97 0.00 0.00 0.00 176.54 177.83 3kx4 n PHE 158 N -4.65 -0.01 -4.04 5.60 -1.74 -0.57 -1.70 117.46 110.36 3kx4 n PHE 158 Ca -0.10 -0.89 -0.33 0.00 -0.56 0.00 0.00 57.45 55.58 3kx4 n PHE 158 Cb 0.44 0.20 0.00 0.00 1.52 0.00 0.00 39.48 41.64 3kx4 n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 3kx4 n ASN 159 N -0.03 -4.09 -4.40 5.98 5.15 -0.57 -4.96 115.26 112.33 3kx4 n ASN 159 Ca -0.06 -0.88 -0.32 0.00 -0.60 0.00 0.00 54.58 52.72 3kx4 n ASN 159 Cb 0.94 -3.42 -0.14 0.00 -0.53 0.00 0.00 39.78 36.62 3kx4 n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3kx4 s TYR 160 N -3.31 2.66 -0.44 1.20 5.04 -0.86 -4.93 117.35 116.71 3kx4 s TYR 160 Ca 0.68 -0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 54.79 3kx4 s TYR 160 Cb -0.35 -1.67 0.09 0.00 0.35 0.00 0.00 41.96 40.37 3kx4 s TYR 160 CO 0.87 -0.01 0.30 1.03 -1.34 0.00 0.00 175.55 176.39 3kx4 s ARG 161 N -0.32 2.64 0.52 4.97 0.52 -1.26 -2.76 118.95 123.25 3kx4 s ARG 161 Ca 0.02 -1.50 0.32 0.00 -0.52 0.00 0.00 55.73 54.05 3kx4 s ARG 161 Cb -0.13 -3.86 1.27 0.00 0.52 0.00 0.00 34.95 32.75 3kx4 s ARG 161 CO 0.02 -1.01 1.94 0.74 0.02 0.00 0.00 175.30 177.01 3kx4 h PHE 162 N 8.47 0.00 -6.32 -0.53 0.04 -1.93 -3.47 116.94 113.20 3kx4 h PHE 162 Ca -0.23 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.07 3kx4 h PHE 162 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 3kx4 h PHE 162 CO 0.62 0.00 -0.86 0.09 -0.60 0.00 0.00 178.31 177.56 3kx4 n ASN 163 N -3.02 -0.70 0.22 2.17 3.02 -1.26 -4.51 115.26 111.17 3kx4 n ASN 163 Ca 0.01 -0.93 0.06 0.00 -0.03 0.00 0.00 54.58 53.69 3kx4 n ASN 163 Cb 0.32 -3.49 0.49 0.00 -0.61 0.00 0.00 39.78 36.49 3kx4 n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kx4 h SER 164 N -1.85 0.00 0.39 6.41 0.02 -1.91 -2.18 113.55 114.42 3kx4 h SER 164 Ca -0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3kx4 h SER 164 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3kx4 h SER 164 CO 0.60 0.25 0.00 0.49 -1.14 0.00 0.00 176.83 177.03 3kx4 n PHE 165 N -4.04 0.00 0.48 3.45 3.72 -1.26 -2.57 117.46 117.23 3kx4 n PHE 165 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 3kx4 n PHE 165 Cb 0.32 -0.27 0.25 0.00 -0.94 0.00 0.00 39.48 38.84 3kx4 n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kx4 n TYR 166 N -1.27 0.47 -3.84 1.38 4.01 -0.82 -4.99 117.16 112.10 3kx4 n TYR 166 Ca 0.11 -0.23 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 3kx4 n TYR 166 Cb 0.17 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.12 3kx4 n TYR 166 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3kx4 s ARG 167 N -1.53 0.71 -0.11 -0.72 1.70 -1.06 -5.03 118.95 112.91 3kx4 s ARG 167 Ca 0.38 -0.63 -0.09 0.00 -0.47 0.00 0.00 55.73 54.91 3kx4 s ARG 167 Cb 0.22 0.30 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 3kx4 s ARG 167 CO 0.30 -0.21 0.25 -0.44 -1.08 0.00 0.00 175.30 174.12 3kx4 h ASP 168 N 3.40 0.00 -3.38 -2.89 3.45 -1.94 -3.46 116.42 111.61 3kx4 h ASP 168 Ca -0.32 -0.32 -0.58 0.00 0.43 0.00 0.00 57.03 56.24 3kx4 h ASP 168 Cb 1.19 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.88 3kx4 h ASP 168 CO 0.48 0.66 0.09 -1.10 -1.57 0.00 0.00 179.24 177.81 3kx4 s GLN 169 N -1.77 4.31 0.91 3.56 1.11 -1.26 -5.05 119.66 121.47 3kx4 s GLN 169 Ca -0.06 0.70 -0.11 0.00 0.01 0.00 0.00 55.36 55.91 3kx4 s GLN 169 Cb -0.01 -3.52 0.13 0.00 -1.01 0.00 0.00 33.01 28.60 3kx4 s GLN 169 CO 0.22 -0.10 1.06 -2.30 0.01 0.00 0.00 175.29 174.19 3kx4 n PRO 170 N 4.48 -0.37 -1.47 2.91 -0.02 -1.26 -4.90 135.00 134.37 3kx4 n PRO 170 Ca -0.02 -0.04 -0.45 0.00 -2.02 0.00 0.00 63.50 60.97 3kx4 n PRO 170 Cb 0.50 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3kx4 n PRO 170 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kx4 n HIS 171 N -4.06 0.00 -0.34 6.00 -0.00 -1.26 -4.54 115.22 111.01 3kx4 n HIS 171 Ca 0.12 0.80 0.10 0.00 -0.00 0.00 0.00 57.72 58.74 3kx4 n HIS 171 Cb 0.52 -2.05 0.28 0.00 -0.00 0.00 0.00 29.99 28.74 3kx4 n HIS 171 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kx4 h PRO 172 N 1.26 0.77 -0.21 1.57 0.11 -1.96 0.06 132.00 133.60 3kx4 h PRO 172 Ca -0.34 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.77 3kx4 h PRO 172 Cb 1.40 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3kx4 h PRO 172 CO 0.57 0.51 -0.20 0.35 -0.21 0.00 0.00 178.00 179.02 3kx4 h PHE 173 N 0.80 -0.51 -0.76 0.65 3.57 -1.92 -0.12 116.94 118.65 3kx4 h PHE 173 Ca 0.53 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.06 3kx4 h PHE 173 Cb 0.74 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 3kx4 h PHE 173 CO -0.02 -0.27 0.47 0.82 -2.23 0.00 0.00 178.31 177.08 3kx4 h ILE 174 N -0.21 1.21 -0.32 1.41 2.04 -1.49 -0.13 117.51 120.03 3kx4 h ILE 174 Ca 0.12 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.59 3kx4 h ILE 174 Cb 0.40 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3kx4 h ILE 174 CO -0.33 0.22 0.01 0.74 0.00 0.00 0.00 178.15 178.78 3kx4 h THR 175 N 1.04 0.77 -0.36 -0.27 2.02 -0.65 -0.05 112.91 115.41 3kx4 h THR 175 Ca 0.28 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 3kx4 h THR 175 Cb -0.06 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3kx4 h THR 175 CO -0.05 0.02 0.12 0.28 0.37 0.00 0.00 175.52 176.26 3kx4 h SER 176 N 0.10 0.52 -0.45 4.18 0.02 -0.67 -1.46 113.55 115.78 3kx4 h SER 176 Ca 0.15 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3kx4 h SER 176 Cb 0.20 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3kx4 h SER 176 CO -0.25 0.57 0.24 -0.03 -1.14 0.00 0.00 176.83 176.21 3kx4 h MET 177 N 0.43 0.64 -0.67 3.45 -1.53 -0.84 0.34 114.93 116.76 3kx4 h MET 177 Ca 0.12 -0.08 -0.06 0.00 -3.44 0.00 0.00 59.70 56.24 3kx4 h MET 177 Cb 0.23 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.13 3kx4 h MET 177 CO -0.01 0.52 0.19 0.28 0.14 0.00 0.00 176.91 178.04 3kx4 h VAL 178 N 0.59 1.25 -0.10 -5.77 2.07 -0.91 -0.70 116.25 112.69 3kx4 h VAL 178 Ca 0.16 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 3kx4 h VAL 178 Cb 0.08 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kx4 h VAL 178 CO -0.02 0.34 -0.51 -0.09 0.02 0.00 0.00 177.57 177.31 3kx4 h ARG 179 N 0.97 0.26 -0.25 1.57 2.43 -0.98 -0.95 114.38 117.44 3kx4 h ARG 179 Ca 0.21 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3kx4 h ARG 179 Cb 0.32 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3kx4 h ARG 179 CO -0.00 0.71 -0.16 0.00 -1.51 0.00 0.00 179.97 179.01 3kx4 h ALA 180 N 1.26 0.35 -0.64 2.80 0.00 0.06 -1.52 119.26 121.58 3kx4 h ALA 180 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3kx4 h ALA 180 Cb 0.98 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3kx4 h ALA 180 CO 0.08 0.25 0.16 1.25 0.00 0.00 0.00 179.25 180.99 3kx4 h LEU 181 N 0.25 0.96 -0.73 0.00 5.85 -1.03 -0.62 115.31 119.98 3kx4 h LEU 181 Ca 0.05 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3kx4 h LEU 181 Cb 0.68 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kx4 h LEU 181 CO 0.04 0.94 0.30 -0.78 -0.34 0.00 0.00 178.44 178.60 3kx4 h ASP 182 N 0.93 1.00 -0.52 1.25 3.58 -1.13 -1.48 116.42 120.07 3kx4 h ASP 182 Ca 0.20 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 3kx4 h ASP 182 Cb 0.35 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3kx4 h ASP 182 CO 0.00 0.90 -0.15 -0.08 -2.88 0.00 0.00 179.24 177.03 3kx4 h GLU 183 N 1.05 1.02 -0.57 0.28 4.57 -0.83 0.43 114.58 120.53 3kx4 h GLU 183 Ca 0.24 -0.40 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3kx4 h GLU 183 Cb 0.20 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 3kx4 h GLU 183 CO -0.02 1.09 0.30 0.00 -1.18 0.00 0.00 179.01 179.20 3kx4 h ALA 184 N 0.91 0.75 -0.16 2.92 0.00 -0.67 -1.42 119.26 121.59 3kx4 h ALA 184 Ca 0.13 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3kx4 h ALA 184 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kx4 h ALA 184 CO 0.06 -0.04 -0.58 0.52 0.00 0.00 0.00 179.25 179.21 3kx4 h MET 185 N 0.57 0.52 0.00 0.00 2.86 -0.94 -2.96 114.93 114.98 3kx4 h MET 185 Ca 0.26 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 3kx4 h MET 185 Cb 0.16 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3kx4 h MET 185 CO -0.17 0.96 -0.35 -0.91 1.06 0.00 0.00 176.91 177.50 3kx4 h ASN 186 N 0.39 0.00 0.37 1.22 2.35 -0.66 -2.65 115.58 116.61 3kx4 h ASN 186 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kx4 h ASN 186 Cb 1.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 3kx4 h ASN 186 CO 0.11 0.35 -0.11 0.11 -1.65 0.00 0.00 177.43 176.23 3kx4 h LYS 187 N 0.00 0.00 0.00 0.81 1.57 -1.09 -2.28 116.57 115.59 3kx4 h LYS 187 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3kx4 h LYS 187 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3kx4 h LYS 187 CO 0.04 0.11 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.83 3kx4 h LEU 188 N 0.00 0.00 -3.02 2.94 3.38 -1.53 -2.93 115.31 114.14 3kx4 h LEU 188 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kx4 h LEU 188 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kx4 h LEU 188 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3kx4 n GLN 189 N -4.32 3.10 -2.86 1.13 1.13 -0.86 -4.98 117.38 109.72 3kx4 n GLN 189 Ca -0.03 -2.50 -0.42 0.00 -1.94 0.00 0.00 57.00 52.11 3kx4 n GLN 189 Cb 0.20 -1.59 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 3kx4 n GLN 189 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kx4 s ARG 190 N -1.62 3.94 0.08 -1.09 3.52 -1.11 -4.95 118.95 117.72 3kx4 s ARG 190 Ca 0.37 0.64 -0.19 0.00 -0.13 0.00 0.00 55.73 56.43 3kx4 s ARG 190 Cb 0.24 -3.75 -0.06 0.00 -1.56 0.00 0.00 34.95 29.82 3kx4 s ARG 190 CO 0.18 -0.79 1.32 0.00 -0.81 0.00 0.00 175.30 175.20 3kx4 h ALA 191 N 8.21 -0.51 -3.05 6.12 0.00 -1.93 -3.36 119.26 124.73 3kx4 h ALA 191 Ca -0.23 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.07 3kx4 h ALA 191 Cb 1.09 1.02 -0.41 0.00 0.00 0.00 0.00 17.79 19.49 3kx4 h ALA 191 CO 0.93 -0.69 -0.69 -0.80 0.00 0.00 0.00 179.25 178.00 3kx4 s ASN 192 N -4.17 3.88 0.00 0.00 0.01 -1.26 -5.03 114.94 108.37 3kx4 s ASN 192 Ca -0.08 -3.07 0.00 0.00 -0.71 0.00 0.00 52.86 49.00 3kx4 s ASN 192 Cb 0.05 -1.28 0.00 0.00 0.41 0.00 0.00 41.25 40.44 3kx4 s ASN 192 CO 0.36 -0.20 0.75 -2.65 -1.51 0.00 0.00 177.10 173.84 3kx4 n PRO 193 N 2.98 0.00 -2.06 -0.60 -0.02 -1.26 -3.84 135.00 130.21 3kx4 n PRO 193 Ca 0.12 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.97 3kx4 n PRO 193 Cb 0.35 -1.20 0.01 0.00 -0.02 0.00 0.00 33.50 32.64 3kx4 n PRO 193 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3kx4 s ASP 194 N -2.91 5.87 0.00 2.55 3.84 -1.26 -4.81 116.67 119.96 3kx4 s ASP 194 Ca 0.00 2.52 0.00 0.00 -0.00 0.00 0.00 52.55 55.07 3kx4 s ASP 194 Cb 0.00 -2.62 0.00 0.00 -1.38 0.00 0.00 42.92 38.92 3kx4 s ASP 194 CO 0.00 -1.14 0.00 -0.67 -0.00 0.00 0.00 175.17 173.36 3kx4 n ASP 195 N -0.58 0.00 -0.30 2.11 -0.08 -1.25 -5.03 116.55 111.42 3kx4 n ASP 195 Ca 0.08 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.55 3kx4 n ASP 195 Cb 0.46 0.00 0.46 0.00 2.34 0.00 0.00 41.12 44.38 3kx4 n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kx4 h PRO 196 N 0.00 0.48 -0.23 -0.67 0.11 -1.92 -1.28 132.00 128.49 3kx4 h PRO 196 Ca 0.00 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.15 3kx4 h PRO 196 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3kx4 h PRO 196 CO 0.00 0.32 0.26 0.00 -0.21 0.00 0.00 178.00 178.37 3kx4 h ALA 197 N 1.62 1.85 -0.36 -0.75 0.00 -1.95 -1.43 119.26 118.23 3kx4 h ALA 197 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3kx4 h ALA 197 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kx4 h ALA 197 CO -0.28 -0.38 0.00 0.66 0.00 0.00 0.00 179.25 179.25 3kx4 n TYR 198 N -3.73 0.46 -0.36 0.00 4.01 -0.48 -4.25 117.16 112.82 3kx4 n TYR 198 Ca 0.03 -0.25 0.04 0.00 -0.16 0.00 0.00 57.90 57.56 3kx4 n TYR 198 Cb 0.40 -0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.62 3kx4 n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kx4 h ASP 199 N 4.18 0.96 -0.61 7.72 3.32 -1.35 -1.45 116.42 129.20 3kx4 h ASP 199 Ca 0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3kx4 h ASP 199 Cb 0.94 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 3kx4 h ASP 199 CO 0.00 0.57 0.22 -0.08 -1.72 0.00 0.00 179.24 178.22 3kx4 h GLU 200 N 1.06 0.92 -0.77 3.56 4.57 -1.78 -1.51 114.58 120.63 3kx4 h GLU 200 Ca 0.45 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3kx4 h GLU 200 Cb 0.31 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3kx4 h GLU 200 CO -0.21 0.80 0.47 -0.91 -1.18 0.00 0.00 179.01 177.98 3kx4 h ASN 201 N 0.85 0.92 -0.26 1.04 4.21 -1.63 -0.81 115.58 119.90 3kx4 h ASN 201 Ca 0.20 -0.05 -0.19 0.00 1.21 0.00 0.00 56.30 57.46 3kx4 h ASN 201 Cb 0.24 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3kx4 h ASN 201 CO -0.01 0.71 -0.60 0.11 -1.29 0.00 0.00 177.43 176.35 3kx4 h LYS 202 N 1.07 0.87 -0.38 0.81 1.57 -0.88 0.03 116.57 119.65 3kx4 h LYS 202 Ca 0.28 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3kx4 h LYS 202 Cb -0.05 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3kx4 h LYS 202 CO -0.05 1.21 0.22 -0.09 -0.57 0.00 0.00 179.45 180.17 3kx4 h ARG 203 N 0.65 0.52 -0.54 3.15 2.43 -0.95 -1.64 114.38 118.00 3kx4 h ARG 203 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3kx4 h ARG 203 Cb 1.21 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3kx4 h ARG 203 CO 0.13 0.41 0.26 0.37 -1.51 0.00 0.00 179.97 179.63 3kx4 h GLN 204 N 0.49 0.77 -0.25 0.20 5.75 -1.00 -0.48 115.11 120.60 3kx4 h GLN 204 Ca 0.14 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 3kx4 h GLN 204 Cb 0.02 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3kx4 h GLN 204 CO -0.02 0.63 -0.01 0.35 -2.65 0.00 0.00 178.83 177.13 3kx4 h PHE 205 N 0.72 -0.04 -0.85 3.99 3.57 -0.84 0.74 116.94 124.24 3kx4 h PHE 205 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3kx4 h PHE 205 Cb 0.11 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3kx4 h PHE 205 CO -0.00 -0.05 0.42 1.96 -2.23 0.00 0.00 178.31 178.40 3kx4 h GLN 206 N 0.06 1.21 -0.58 1.11 1.08 -0.96 -1.94 115.11 115.09 3kx4 h GLN 206 Ca 0.12 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3kx4 h GLN 206 Cb 0.16 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3kx4 h GLN 206 CO -0.21 0.92 0.20 1.49 -0.95 0.00 0.00 178.83 180.27 3kx4 h GLU 207 N 1.21 0.90 -0.52 1.46 4.81 -0.29 -1.95 114.58 120.19 3kx4 h GLU 207 Ca 0.29 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3kx4 h GLU 207 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3kx4 h GLU 207 CO -0.04 0.80 0.22 -0.44 -0.73 0.00 0.00 179.01 178.82 3kx4 h ASP 208 N 0.82 0.70 -0.61 1.04 3.32 -0.60 -0.46 116.42 120.62 3kx4 h ASP 208 Ca 0.19 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.15 3kx4 h ASP 208 Cb 0.27 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3kx4 h ASP 208 CO -0.01 0.66 0.32 0.40 -1.72 0.00 0.00 179.24 178.89 3kx4 h ILE 209 N 0.69 0.94 -0.56 0.35 2.04 -1.24 -0.47 117.51 119.26 3kx4 h ILE 209 Ca 0.17 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3kx4 h ILE 209 Cb 0.16 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3kx4 h ILE 209 CO -0.02 0.11 0.26 0.11 0.00 0.00 0.00 178.15 178.61 3kx4 h LYS 210 N 0.60 0.81 -0.46 2.37 1.57 -0.83 0.40 116.57 121.03 3kx4 h LYS 210 Ca 0.28 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3kx4 h LYS 210 Cb 0.19 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3kx4 h LYS 210 CO -0.19 0.67 0.18 0.28 -0.57 0.00 0.00 179.45 179.81 3kx4 h VAL 211 N 0.75 0.87 0.07 0.50 2.07 -0.56 0.69 116.25 120.64 3kx4 h VAL 211 Ca 0.19 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3kx4 h VAL 211 Cb 0.13 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3kx4 h VAL 211 CO -0.02 0.07 -0.03 0.24 0.02 0.00 0.00 177.57 177.84 3kx4 h MET 212 N 0.36 -0.09 -0.29 1.57 2.07 -0.61 -2.72 114.93 115.23 3kx4 h MET 212 Ca 0.21 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.87 3kx4 h MET 212 Cb 0.20 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 3kx4 h MET 212 CO -0.21 0.21 0.12 -0.91 1.07 0.00 0.00 176.91 177.20 3kx4 h ASN 213 N -0.39 0.16 -0.17 1.22 2.35 -0.82 -2.06 115.58 115.87 3kx4 h ASN 213 Ca -0.01 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3kx4 h ASN 213 Cb 0.34 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3kx4 h ASN 213 CO 0.02 0.13 -0.05 0.44 -1.65 0.00 0.00 177.43 176.31 3kx4 h ASP 214 N 0.26 -0.19 -0.19 5.81 3.32 -0.83 0.22 116.42 124.82 3kx4 h ASP 214 Ca 0.12 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3kx4 h ASP 214 Cb 0.07 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3kx4 h ASP 214 CO -0.11 -0.07 0.07 0.25 -1.72 0.00 0.00 179.24 177.67 3kx4 h LEU 215 N -0.02 0.26 -0.26 1.55 5.85 -1.37 -2.36 115.31 118.96 3kx4 h LEU 215 Ca 0.09 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3kx4 h LEU 215 Cb 0.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kx4 h LEU 215 CO -0.19 0.36 -0.08 0.58 -0.34 0.00 0.00 178.44 178.77 3kx4 h VAL 216 N 0.15 1.29 -0.68 1.05 2.07 -0.99 -2.21 116.25 116.92 3kx4 h VAL 216 Ca 0.06 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3kx4 h VAL 216 Cb 0.18 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3kx4 h VAL 216 CO -0.00 0.35 0.45 0.44 0.02 0.00 0.00 177.57 178.82 3kx4 h ASP 217 N 0.25 0.70 -0.18 0.57 3.32 -0.58 -1.21 116.42 119.28 3kx4 h ASP 217 Ca 0.06 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3kx4 h ASP 217 Cb 0.57 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3kx4 h ASP 217 CO 0.03 0.48 0.02 0.50 -1.72 0.00 0.00 179.24 178.55 3kx4 h LYS 218 N 0.81 0.31 -0.78 3.56 1.63 -1.20 0.13 116.57 121.03 3kx4 h LYS 218 Ca 0.27 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.92 3kx4 h LYS 218 Cb 0.07 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 3kx4 h LYS 218 CO -0.07 0.50 0.28 0.82 -3.45 0.00 0.00 179.45 177.53 3kx4 h ILE 219 N 0.08 1.26 -0.05 2.00 2.04 -0.95 0.26 117.51 122.16 3kx4 h ILE 219 Ca 0.05 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3kx4 h ILE 219 Cb 0.35 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3kx4 h ILE 219 CO 0.01 0.35 0.02 0.40 0.00 0.00 0.00 178.15 178.93 3kx4 h ILE 220 N 1.15 1.11 -0.33 -0.67 2.04 -1.09 -0.58 117.51 119.14 3kx4 h ILE 220 Ca 0.26 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3kx4 h ILE 220 Cb 0.26 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3kx4 h ILE 220 CO -0.02 0.09 0.16 0.00 0.00 0.00 0.00 178.15 178.38 3kx4 h ALA 221 N 0.90 0.40 -0.84 1.87 0.00 -0.61 -1.32 119.26 119.65 3kx4 h ALA 221 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kx4 h ALA 221 Cb 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3kx4 h ALA 221 CO -0.00 -0.22 0.55 -0.44 0.00 0.00 0.00 179.25 179.14 3kx4 h ASP 222 N 0.33 0.89 0.02 0.00 3.32 -0.86 -2.16 116.42 117.96 3kx4 h ASP 222 Ca 0.14 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3kx4 h ASP 222 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3kx4 h ASP 222 CO -0.10 0.61 -0.43 -0.09 -1.72 0.00 0.00 179.24 177.51 3kx4 h ARG 223 N 1.03 0.50 -0.41 3.56 9.65 -0.36 -2.03 114.38 126.33 3kx4 h ARG 223 Ca 0.34 -0.26 -0.10 0.00 -1.10 0.00 0.00 59.98 58.85 3kx4 h ARG 223 Cb 0.05 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3kx4 h ARG 223 CO -0.10 0.84 -0.13 0.87 2.80 0.00 0.00 179.97 184.24 3kx4 h LYS 224 N 0.41 0.81 0.27 0.20 1.57 -0.82 -2.41 116.57 116.59 3kx4 h LYS 224 Ca 0.03 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3kx4 h LYS 224 Cb 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3kx4 h LYS 224 CO 0.08 0.95 -0.13 0.00 -0.57 0.00 0.00 179.45 179.78 3kx4 h ALA 225 N 0.83 -0.36 0.00 3.86 0.00 -1.23 -2.97 119.26 119.40 3kx4 h ALA 225 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kx4 h ALA 225 Cb 0.67 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kx4 h ALA 225 CO 0.05 -0.67 -0.18 0.66 0.00 0.00 0.00 179.25 179.11 3kx4 h SER 226 N -0.42 0.00 -0.37 0.00 4.64 -1.41 -3.45 113.55 112.53 3kx4 h SER 226 Ca -0.04 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 3kx4 h SER 226 Cb 0.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.35 3kx4 h SER 226 CO 0.06 0.18 -0.15 0.61 -0.87 0.00 0.00 176.83 176.66 3kx4 n GLY 227 N -0.67 0.81 3.69 -0.77 0.00 -0.91 -4.92 105.19 102.42 3kx4 n GLY 227 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3kx4 n GLY 227 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kx4 s GLU 228 N -2.49 4.22 -0.24 1.61 2.12 -1.25 -4.99 118.70 117.67 3kx4 s GLU 228 Ca 0.00 2.21 -0.14 0.00 0.36 0.00 0.00 54.97 57.40 3kx4 s GLU 228 Cb 0.00 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3kx4 s GLU 228 CO 0.00 -0.70 0.33 -0.65 -0.54 0.00 0.00 175.26 173.70 3kx4 s GLN 229 N 2.72 4.07 0.49 4.30 -1.52 -1.26 -4.98 119.66 123.49 3kx4 s GLN 229 Ca 0.71 0.02 0.01 0.00 -1.95 0.00 0.00 55.36 54.15 3kx4 s GLN 229 Cb -0.37 -3.60 -0.01 0.00 -0.22 0.00 0.00 33.01 28.82 3kx4 s GLN 229 CO 0.30 -0.13 0.05 0.45 -0.25 0.00 0.00 175.29 175.71 3kx4 s SER 230 N 1.34 3.78 -0.39 5.90 0.15 -1.26 -5.05 113.70 118.17 3kx4 s SER 230 Ca 0.15 -1.71 0.07 0.00 0.70 0.00 0.00 55.95 55.15 3kx4 s SER 230 Cb -0.15 0.64 0.71 0.00 -1.71 0.00 0.00 66.02 65.51 3kx4 s SER 230 CO 0.08 -0.93 1.87 0.47 1.20 0.00 0.00 173.24 175.93 3kx4 n ASP 231 N -1.35 4.26 -4.84 5.45 8.00 -1.26 -4.78 116.55 122.03 3kx4 n ASP 231 Ca -0.17 -3.44 -0.22 0.00 0.71 0.00 0.00 54.79 51.68 3kx4 n ASP 231 Cb 0.66 -0.80 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 3kx4 n ASP 231 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3kx4 s ASP 232 N -1.18 4.91 0.47 -2.24 -4.77 -1.26 -4.74 116.67 107.86 3kx4 s ASP 232 Ca 0.56 -0.81 0.16 0.00 -3.30 0.00 0.00 52.55 49.17 3kx4 s ASP 232 Cb 0.46 -0.58 1.13 0.00 -1.09 0.00 0.00 42.92 42.84 3kx4 s ASP 232 CO 0.12 -0.60 2.04 -0.07 0.70 0.00 0.00 175.17 177.37 3kx4 h LEU 233 N 1.15 0.00 -0.79 2.11 3.38 -1.14 -2.84 115.31 117.19 3kx4 h LEU 233 Ca -0.42 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 3kx4 h LEU 233 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3kx4 h LEU 233 CO 0.60 0.13 0.09 0.25 0.09 0.00 0.00 178.44 179.60 3kx4 h LEU 234 N 0.00 0.96 -0.23 1.67 5.85 -1.59 -0.03 115.31 121.94 3kx4 h LEU 234 Ca -0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3kx4 h LEU 234 Cb 0.23 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3kx4 h LEU 234 CO 0.02 0.97 0.14 0.74 -0.34 0.00 0.00 178.44 179.96 3kx4 h THR 235 N 0.94 1.09 -0.96 1.05 2.02 -1.81 -0.36 112.91 114.88 3kx4 h THR 235 Ca 0.19 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.22 3kx4 h THR 235 Cb 0.43 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 3kx4 h THR 235 CO 0.01 0.08 0.62 0.45 0.37 0.00 0.00 175.52 177.05 3kx4 h HIS 236 N 0.28 1.14 0.00 3.16 3.86 -1.43 -2.00 115.15 120.15 3kx4 h HIS 236 Ca 0.08 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 3kx4 h HIS 236 Cb 0.02 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 3kx4 h HIS 236 CO -0.05 0.58 -0.65 0.52 0.86 0.00 0.00 177.93 179.19 3kx4 h MET 237 N 1.12 0.00 -0.25 2.45 2.07 -0.75 -1.09 114.93 118.48 3kx4 h MET 237 Ca 0.42 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.91 3kx4 h MET 237 Cb 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 3kx4 h MET 237 CO -0.18 0.65 -0.40 -0.07 1.07 0.00 0.00 176.91 177.99 3kx4 h LEU 238 N 0.00 0.63 0.00 1.22 3.38 -0.58 -3.30 115.31 116.66 3kx4 h LEU 238 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3kx4 h LEU 238 Cb 1.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kx4 h LEU 238 CO 0.08 0.95 -0.94 0.59 0.09 0.00 0.00 178.44 179.22 3kx4 n ASN 239 N -4.03 0.64 -4.80 -0.43 3.02 -0.80 -4.99 115.26 103.86 3kx4 n ASN 239 Ca -0.02 -0.30 -0.35 0.00 -0.03 0.00 0.00 54.58 53.88 3kx4 n ASN 239 Cb 0.51 0.73 -0.07 0.00 -0.61 0.00 0.00 39.78 40.35 3kx4 n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kx4 s GLY 240 N -3.48 2.59 -0.05 7.41 0.00 -0.42 -5.07 107.32 108.30 3kx4 s GLY 240 Ca 0.05 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.23 3kx4 s GLY 240 CO 0.79 0.77 -0.19 0.54 0.00 0.00 0.00 173.10 175.01 3kx4 s LYS 241 N -2.58 2.07 -0.08 2.90 1.02 -1.26 -4.21 119.74 117.60 3kx4 s LYS 241 Ca 0.55 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 3kx4 s LYS 241 Cb -0.14 -1.74 -0.06 0.00 -0.52 0.00 0.00 37.83 35.38 3kx4 s LYS 241 CO 0.19 0.24 1.72 0.34 -0.92 0.00 0.00 175.35 176.92 3kx4 s ASP 242 N 0.10 6.53 0.24 2.83 2.15 -0.09 -4.83 116.67 123.58 3kx4 s ASP 242 Ca -0.07 2.18 -0.07 0.00 0.43 0.00 0.00 52.55 55.02 3kx4 s ASP 242 Cb -0.13 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.37 3kx4 s ASP 242 CO 0.03 -1.05 1.65 -0.65 -0.17 0.00 0.00 175.17 174.98 3kx4 h PRO 243 N 10.17 0.13 0.12 4.34 0.11 -1.93 0.27 132.00 145.20 3kx4 h PRO 243 Ca -0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3kx4 h PRO 243 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kx4 h PRO 243 CO 0.96 0.09 -0.06 0.93 -0.21 0.00 0.00 178.00 179.71 3kx4 h GLU 244 N 0.14 -0.15 0.00 1.05 5.08 -1.97 -3.27 114.58 115.45 3kx4 h GLU 244 Ca 0.40 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3kx4 h GLU 244 Cb 0.69 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3kx4 h GLU 244 CO -0.61 -0.10 0.00 0.25 -1.00 0.00 0.00 179.01 177.55 3kx4 n THR 245 N -2.44 0.52 -0.75 1.13 -2.24 -1.21 -4.90 114.28 104.39 3kx4 n THR 245 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3kx4 n THR 245 Cb 0.06 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3kx4 n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kx4 n GLY 246 N 0.94 0.34 3.89 3.38 0.00 0.94 -5.01 105.19 109.68 3kx4 n GLY 246 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3kx4 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx4 s GLU 247 N -0.73 3.62 0.74 1.61 2.02 -1.23 -4.66 118.70 120.06 3kx4 s GLU 247 Ca 0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 54.97 54.82 3kx4 s GLU 247 Cb 0.00 -2.92 0.05 0.00 0.10 0.00 0.00 34.13 31.36 3kx4 s GLU 247 CO 0.00 0.52 1.08 -1.25 0.02 0.00 0.00 175.26 175.63 3kx4 s PRO 248 N -2.40 2.30 0.31 0.39 0.04 -1.26 -0.92 135.00 133.47 3kx4 s PRO 248 Ca 0.37 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.18 3kx4 s PRO 248 Cb -0.13 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 3kx4 s PRO 248 CO 0.23 -1.29 1.18 -0.51 0.04 0.00 0.00 177.00 176.64 3kx4 s LEU 249 N -5.38 4.46 0.67 -3.56 1.43 -1.26 -4.92 118.68 110.12 3kx4 s LEU 249 Ca 0.60 2.41 -0.09 0.00 -1.03 0.00 0.00 54.13 56.03 3kx4 s LEU 249 Cb -0.11 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.44 3kx4 s LEU 249 CO 0.48 -0.35 1.02 1.51 0.23 0.00 0.00 176.35 179.24 3kx4 s ASP 250 N -0.80 5.31 0.27 2.29 1.47 -1.26 -4.84 116.67 119.11 3kx4 s ASP 250 Ca 0.48 0.83 -0.01 0.00 1.18 0.00 0.00 52.55 55.02 3kx4 s ASP 250 Cb -0.34 -1.65 0.45 0.00 -0.34 0.00 0.00 42.92 41.05 3kx4 s ASP 250 CO 0.44 -1.33 1.86 0.44 0.68 0.00 0.00 175.17 177.26 3kx4 h ASP 251 N -0.50 0.97 -0.73 2.11 3.32 -1.99 -0.79 116.42 118.81 3kx4 h ASP 251 Ca -0.45 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 3kx4 h ASP 251 Cb 1.27 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3kx4 h ASP 251 CO 0.62 0.58 0.35 -0.08 -1.72 0.00 0.00 179.24 178.99 3kx4 h GLU 252 N 1.08 1.05 -0.32 3.56 4.81 -2.00 -2.26 114.58 120.50 3kx4 h GLU 252 Ca 0.45 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 59.35 3kx4 h GLU 252 Cb 0.30 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3kx4 h GLU 252 CO -0.21 0.82 -0.48 -0.97 -0.73 0.00 0.00 179.01 177.44 3kx4 h ASN 253 N 1.02 0.98 -0.98 1.04 -0.73 -1.56 -1.99 115.58 113.36 3kx4 h ASN 253 Ca 0.25 -0.51 0.09 0.00 1.87 0.00 0.00 56.30 58.00 3kx4 h ASN 253 Cb 0.12 -0.28 -0.07 0.00 0.27 0.00 0.00 38.32 38.36 3kx4 h ASN 253 CO -0.03 1.30 0.63 0.40 -0.37 0.00 0.00 177.43 179.35 3kx4 h ILE 254 N 0.68 1.02 -0.39 2.57 2.04 -1.21 0.23 117.51 122.45 3kx4 h ILE 254 Ca 0.03 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3kx4 h ILE 254 Cb 1.09 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3kx4 h ILE 254 CO 0.11 0.20 0.23 -0.09 0.00 0.00 0.00 178.15 178.59 3kx4 h ARG 255 N 1.08 0.54 -0.66 2.37 2.43 -0.99 -1.80 114.38 117.35 3kx4 h ARG 255 Ca 0.45 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3kx4 h ARG 255 Cb 0.30 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3kx4 h ARG 255 CO -0.20 0.42 0.24 1.88 -1.51 0.00 0.00 179.97 180.80 3kx4 h TYR 256 N 0.51 1.00 -0.53 2.20 0.05 -0.40 -1.66 116.97 118.13 3kx4 h TYR 256 Ca 0.14 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 3kx4 h TYR 256 Cb 0.03 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 3kx4 h TYR 256 CO -0.03 0.78 0.17 1.96 -1.05 0.00 0.00 178.16 179.99 3kx4 h GLN 257 N 0.96 0.79 0.05 4.88 1.08 -0.32 0.19 115.11 122.74 3kx4 h GLN 257 Ca 0.22 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3kx4 h GLN 257 Cb 0.22 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3kx4 h GLN 257 CO -0.02 0.68 -0.02 0.82 -0.95 0.00 0.00 178.83 179.34 3kx4 h ILE 258 N 0.77 1.21 -0.87 2.54 2.04 -0.94 -0.53 117.51 121.72 3kx4 h ILE 258 Ca 0.18 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.24 3kx4 h ILE 258 Cb 0.21 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.01 3kx4 h ILE 258 CO -0.01 0.22 0.53 0.40 0.00 0.00 0.00 178.15 179.29 3kx4 h ILE 259 N -0.46 0.97 -0.35 -0.67 2.04 -1.16 -2.62 117.51 115.25 3kx4 h ILE 259 Ca -0.01 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3kx4 h ILE 259 Cb 0.41 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3kx4 h ILE 259 CO 0.01 0.17 0.13 0.74 0.00 0.00 0.00 178.15 179.20 3kx4 h THR 260 N 0.91 1.20 -0.70 -0.27 2.02 -0.39 -1.67 112.91 114.00 3kx4 h THR 260 Ca 0.41 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 67.05 3kx4 h THR 260 Cb 0.30 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 3kx4 h THR 260 CO -0.22 0.22 0.36 -0.26 0.37 0.00 0.00 175.52 175.99 3kx4 h PHE 261 N 0.42 0.65 -0.11 3.16 0.04 -0.73 -0.80 116.94 119.58 3kx4 h PHE 261 Ca 0.12 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 3kx4 h PHE 261 Cb 0.21 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 3kx4 h PHE 261 CO 0.00 0.26 0.04 -0.07 -0.60 0.00 0.00 178.31 177.93 3kx4 h LEU 262 N 0.63 0.15 -0.14 1.54 3.38 -1.29 -0.19 115.31 119.40 3kx4 h LEU 262 Ca 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kx4 h LEU 262 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3kx4 h LEU 262 CO -0.24 0.30 0.07 0.40 0.09 0.00 0.00 178.44 179.06 3kx4 h ILE 263 N -0.00 1.10 -0.02 1.22 1.08 -0.84 -1.20 117.51 118.85 3kx4 h ILE 263 Ca 0.03 -0.29 -0.15 0.00 -0.39 0.00 0.00 64.86 64.06 3kx4 h ILE 263 Cb 0.20 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3kx4 h ILE 263 CO -0.00 0.10 -0.69 0.00 -0.69 0.00 0.00 178.15 176.86 3kx4 h ALA 264 N 0.96 0.81 0.00 1.87 0.00 -1.18 -3.36 119.26 118.36 3kx4 h ALA 264 Ca 0.05 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 3kx4 h ALA 264 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kx4 h ALA 264 CO -0.01 0.83 -2.12 0.41 0.00 0.00 0.00 179.25 178.36 3kx4 n GLY 265 N 0.45 -1.02 0.11 0.00 0.00 -0.08 -4.44 105.19 100.20 3kx4 n GLY 265 Ca -0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 3kx4 n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3kx4 h HIS 266 N 0.00 -0.13 0.00 1.61 2.07 -1.37 -3.00 115.15 114.34 3kx4 h HIS 266 Ca -0.25 -0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.08 3kx4 h HIS 266 Cb 1.59 0.04 -0.03 0.00 2.57 0.00 0.00 27.41 31.58 3kx4 h HIS 266 CO 0.00 0.39 -1.29 0.93 -3.07 0.00 0.00 177.93 174.88 3kx4 h GLU 267 N -0.79 0.00 -0.17 5.12 5.08 -1.82 -2.34 114.58 119.66 3kx4 h GLU 267 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kx4 h GLU 267 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3kx4 h GLU 267 CO 0.02 0.40 -0.05 1.79 -1.00 0.00 0.00 179.01 180.17 3kx4 h THR 268 N 0.00 0.80 -0.06 1.13 1.35 -1.78 0.70 112.91 115.05 3kx4 h THR 268 Ca -0.15 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.50 3kx4 h THR 268 Cb 1.63 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3kx4 h THR 268 CO 0.06 0.00 -0.84 0.74 -0.25 0.00 0.00 175.52 175.23 3kx4 h THR 269 N -0.02 1.35 -0.20 6.82 2.02 -1.58 -1.90 112.91 119.39 3kx4 h THR 269 Ca 0.09 -2.20 -0.14 0.00 0.77 0.00 0.00 66.41 64.93 3kx4 h THR 269 Cb 0.15 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3kx4 h THR 269 CO -0.19 0.67 -0.45 0.77 0.37 0.00 0.00 175.52 176.70 3kx4 h SER 270 N 0.34 0.54 -0.66 4.18 4.64 -1.40 -1.68 113.55 119.52 3kx4 h SER 270 Ca -0.06 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3kx4 h SER 270 Cb 1.46 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 3kx4 h SER 270 CO 0.15 0.91 0.22 1.23 -0.87 0.00 0.00 176.83 178.48 3kx4 h GLY 271 N 1.10 1.11 0.88 -0.77 0.00 -0.74 -1.09 103.07 103.57 3kx4 h GLY 271 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3kx4 h GLY 271 CO 0.08 0.59 0.07 -2.00 0.00 0.00 0.00 176.54 175.29 3kx4 h LEU 272 N 1.00 0.28 -1.18 3.11 5.85 -0.98 -0.26 115.31 123.13 3kx4 h LEU 272 Ca 0.22 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kx4 h LEU 272 Cb 0.27 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3kx4 h LEU 272 CO -0.01 0.39 0.47 -0.07 -0.34 0.00 0.00 178.44 178.88 3kx4 h LEU 273 N 0.16 0.90 -0.10 2.25 3.38 -1.10 -0.80 115.31 119.99 3kx4 h LEU 273 Ca 0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3kx4 h LEU 273 Cb 0.20 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kx4 h LEU 273 CO -0.00 0.68 -0.12 0.28 0.09 0.00 0.00 178.44 179.37 3kx4 h SER 274 N 1.04 0.29 -0.73 -0.43 0.02 -0.84 -1.86 113.55 111.04 3kx4 h SER 274 Ca 0.28 -0.50 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3kx4 h SER 274 Cb -0.06 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 3kx4 h SER 274 CO -0.05 0.73 0.39 -0.26 -1.14 0.00 0.00 176.83 176.50 3kx4 h PHE 275 N -0.15 1.03 -0.41 3.45 0.04 -0.99 0.24 116.94 120.16 3kx4 h PHE 275 Ca 0.01 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3kx4 h PHE 275 Cb 0.66 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3kx4 h PHE 275 CO 0.09 0.73 0.15 0.00 -0.60 0.00 0.00 178.31 178.68 3kx4 h ALA 276 N 1.38 0.53 -0.54 2.45 0.00 -0.95 0.67 119.26 122.80 3kx4 h ALA 276 Ca 0.26 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kx4 h ALA 276 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kx4 h ALA 276 CO -0.04 0.15 0.03 1.25 0.00 0.00 0.00 179.25 180.64 3kx4 h LEU 277 N 0.51 0.91 0.09 0.00 5.85 -1.09 -0.75 115.31 120.83 3kx4 h LEU 277 Ca 0.13 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3kx4 h LEU 277 Cb 0.21 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3kx4 h LEU 277 CO -0.01 0.97 -0.27 0.22 -0.34 0.00 0.00 178.44 179.01 3kx4 h TYR 278 N 0.81 -0.73 -0.60 1.25 3.20 -0.58 -0.56 116.97 119.76 3kx4 h TYR 278 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kx4 h TYR 278 Cb 0.49 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3kx4 h TYR 278 CO 0.04 -0.37 0.38 0.74 -1.64 0.00 0.00 178.16 177.31 3kx4 h PHE 279 N -0.47 0.77 -0.18 -3.82 0.04 -0.69 -2.11 116.94 110.48 3kx4 h PHE 279 Ca 0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3kx4 h PHE 279 Cb 0.51 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3kx4 h PHE 279 CO -0.26 0.50 0.06 -0.07 -0.60 0.00 0.00 178.31 177.94 3kx4 h LEU 280 N 0.82 0.26 -1.29 1.54 3.38 -0.59 -1.78 115.31 117.66 3kx4 h LEU 280 Ca 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kx4 h LEU 280 Cb -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kx4 h LEU 280 CO -0.04 0.38 -0.21 -0.37 0.09 0.00 0.00 178.44 178.28 3kx4 h VAL 281 N 0.12 0.58 -0.00 1.22 -1.51 -0.82 -2.27 116.25 113.57 3kx4 h VAL 281 Ca 0.06 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3kx4 h VAL 281 Cb 0.21 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3kx4 h VAL 281 CO -0.00 0.21 -0.21 0.29 -1.23 0.00 0.00 177.57 176.62 3kx4 n LYS 282 N -3.46 0.15 -3.36 5.19 4.76 -0.82 -4.34 118.16 116.27 3kx4 n LYS 282 Ca -0.00 -0.05 -0.26 0.00 -2.87 0.00 0.00 58.31 55.13 3kx4 n LYS 282 Cb 0.39 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.00 3kx4 n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kx4 n ASN 283 N -1.38 1.05 -0.19 4.39 3.02 -0.68 -5.00 115.26 116.48 3kx4 n ASN 283 Ca 0.08 -2.82 0.20 0.00 -0.03 0.00 0.00 54.58 52.01 3kx4 n ASN 283 Cb 0.33 -0.64 0.57 0.00 -0.61 0.00 0.00 39.78 39.43 3kx4 n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kx4 h PRO 284 N 4.58 0.27 -0.07 3.52 0.11 -1.75 -0.31 132.00 138.34 3kx4 h PRO 284 Ca 0.15 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 3kx4 h PRO 284 Cb 0.83 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3kx4 h PRO 284 CO 0.54 0.18 -0.51 0.45 -0.21 0.00 0.00 178.00 178.46 3kx4 h HIS 285 N 0.28 0.22 -0.17 0.65 3.86 -1.94 -0.56 115.15 117.49 3kx4 h HIS 285 Ca 0.42 -0.07 -0.16 0.00 -1.16 0.00 0.00 60.37 59.40 3kx4 h HIS 285 Cb 1.20 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.63 3kx4 h HIS 285 CO -0.00 0.66 -0.50 0.28 0.86 0.00 0.00 177.93 179.22 3kx4 h VAL 286 N 0.14 1.32 -0.61 2.45 2.07 -1.41 -2.71 116.25 117.51 3kx4 h VAL 286 Ca 0.00 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 65.80 3kx4 h VAL 286 Cb 0.95 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 3kx4 h VAL 286 CO 0.08 0.54 0.37 0.25 0.02 0.00 0.00 177.57 178.83 3kx4 h LEU 287 N 0.33 0.60 -0.22 2.57 6.46 -1.17 0.00 115.31 123.88 3kx4 h LEU 287 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3kx4 h LEU 287 Cb 1.12 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.89 3kx4 h LEU 287 CO 0.11 0.42 -0.08 -0.61 -0.62 0.00 0.00 178.44 177.66 3kx4 h GLN 288 N 0.73 -0.03 -0.77 1.25 5.75 -1.08 0.15 115.11 121.11 3kx4 h GLN 288 Ca 0.25 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3kx4 h GLN 288 Cb 0.03 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3kx4 h GLN 288 CO -0.11 -0.02 0.40 -0.22 -2.65 0.00 0.00 178.83 176.23 3kx4 h LYS 289 N -0.04 1.09 -0.44 1.69 3.64 -1.07 0.16 116.57 121.60 3kx4 h LYS 289 Ca 0.11 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3kx4 h LYS 289 Cb 0.20 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kx4 h LYS 289 CO -0.24 0.83 -0.25 0.00 -2.27 0.00 0.00 179.45 177.52 3kx4 h ALA 290 N 1.20 0.71 -0.43 5.00 0.00 -0.68 -1.69 119.26 123.38 3kx4 h ALA 290 Ca 0.27 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3kx4 h ALA 290 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kx4 h ALA 290 CO -0.04 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.81 3kx4 h ALA 291 N 0.90 1.09 -0.56 0.00 0.00 -0.37 -0.16 119.26 120.16 3kx4 h ALA 291 Ca 0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3kx4 h ALA 291 Cb 0.82 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kx4 h ALA 291 CO 0.07 0.57 -0.01 0.93 0.00 0.00 0.00 179.25 180.81 3kx4 h GLU 292 N 0.67 0.99 -0.37 0.00 5.08 -0.80 -1.85 114.58 118.30 3kx4 h GLU 292 Ca 0.12 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3kx4 h GLU 292 Cb 0.51 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3kx4 h GLU 292 CO 0.03 0.99 0.14 1.49 -1.00 0.00 0.00 179.01 180.66 3kx4 h GLU 293 N 0.87 0.55 -0.87 2.33 4.81 -0.84 -1.35 114.58 120.08 3kx4 h GLU 293 Ca 0.16 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3kx4 h GLU 293 Cb 0.55 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3kx4 h GLU 293 CO 0.03 0.54 0.57 0.00 -0.73 0.00 0.00 179.01 179.42 3kx4 h ALA 294 N 0.99 1.11 -0.63 2.92 0.00 -0.80 -0.67 119.26 122.17 3kx4 h ALA 294 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kx4 h ALA 294 Cb 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kx4 h ALA 294 CO -0.01 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.75 3kx4 h ALA 295 N 1.33 0.85 -0.17 0.00 0.00 -1.23 0.04 119.26 120.08 3kx4 h ALA 295 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kx4 h ALA 295 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kx4 h ALA 295 CO -0.08 0.67 -0.01 -0.09 0.00 0.00 0.00 179.25 179.74 3kx4 h ARG 296 N 1.00 0.31 0.17 0.00 2.43 -0.69 -3.35 114.38 114.26 3kx4 h ARG 296 Ca 0.18 -0.11 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 3kx4 h ARG 296 Cb 0.53 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3kx4 h ARG 296 CO 0.03 0.55 -1.35 0.28 -1.51 0.00 0.00 179.97 177.96 3kx4 h VAL 297 N 0.05 1.20 -1.04 0.20 2.07 -1.13 -3.40 116.25 114.20 3kx4 h VAL 297 Ca 0.05 -2.53 -0.74 0.00 0.82 0.00 0.00 66.70 64.29 3kx4 h VAL 297 Cb 0.41 2.93 -0.12 0.00 -1.52 0.00 0.00 31.29 32.99 3kx4 h VAL 297 CO 0.01 0.77 2.29 0.18 0.02 0.00 0.00 177.57 180.84 3kx4 n LEU 298 N -3.86 6.61 -0.26 2.57 4.77 -0.00 -4.70 117.00 122.13 3kx4 n LEU 298 Ca -0.20 -4.49 0.13 0.00 -0.03 0.00 0.00 56.01 51.42 3kx4 n LEU 298 Cb 0.97 -1.54 0.36 0.00 -2.33 0.00 0.00 43.42 40.88 3kx4 n LEU 298 CO 0.50 1.25 0.64 1.33 -1.33 0.00 0.00 177.39 179.78 3kx4 n VAL 299 N 3.92 0.00 -3.67 4.08 0.24 -1.26 -4.87 118.33 116.76 3kx4 n VAL 299 Ca 0.43 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.34 62.40 3kx4 n VAL 299 Cb 0.37 0.43 -0.01 0.00 -1.47 0.00 0.00 33.84 33.17 3kx4 n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kx4 s ASP 300 N -2.50 6.05 0.62 -1.34 1.01 -1.26 -5.00 116.67 114.25 3kx4 s ASP 300 Ca 0.24 -0.12 0.39 0.00 0.71 0.00 0.00 52.55 53.78 3kx4 s ASP 300 Cb 0.19 -1.44 2.00 0.00 1.01 0.00 0.00 42.92 44.68 3kx4 s ASP 300 CO 0.52 -0.29 2.22 -0.65 0.21 0.00 0.00 175.17 177.18 3kx4 h PRO 301 N 1.02 0.00 -3.78 8.23 0.11 -1.89 -3.41 132.00 132.28 3kx4 h PRO 301 Ca -0.48 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 3kx4 h PRO 301 Cb 1.25 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.13 3kx4 h PRO 301 CO 0.56 0.01 -0.65 0.08 -0.21 0.00 0.00 178.00 177.80 3kx4 s VAL 302 N -4.03 0.07 0.37 3.15 1.01 -1.26 -4.53 120.40 115.18 3kx4 s VAL 302 Ca -0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 3kx4 s VAL 302 Cb 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 36.16 3kx4 s VAL 302 CO 0.47 -0.34 1.09 -2.84 0.00 0.00 0.00 175.10 173.49 3kx4 s PRO 303 N -1.03 4.27 0.51 2.72 0.02 -1.26 -4.98 135.00 135.24 3kx4 s PRO 303 Ca -0.11 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.57 3kx4 s PRO 303 Cb -0.07 -2.75 0.01 0.00 0.02 0.00 0.00 34.50 31.72 3kx4 s PRO 303 CO -0.00 -0.09 0.74 -1.54 -0.33 0.00 0.00 177.00 175.78 3kx4 s SER 304 N -1.28 5.57 0.17 2.53 1.04 -1.26 -4.98 113.70 115.48 3kx4 s SER 304 Ca 0.54 0.20 -0.14 0.00 0.48 0.00 0.00 55.95 57.03 3kx4 s SER 304 Cb -0.27 -1.27 0.11 0.00 0.10 0.00 0.00 66.02 64.69 3kx4 s SER 304 CO 0.34 -0.92 1.77 0.22 0.98 0.00 0.00 173.24 175.63 3kx4 h TYR 305 N 0.20 0.38 -0.62 5.02 3.20 -1.96 -2.50 116.97 120.70 3kx4 h TYR 305 Ca -0.44 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 3kx4 h TYR 305 Cb 1.27 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 3kx4 h TYR 305 CO 0.42 0.18 0.33 0.87 -1.64 0.00 0.00 178.16 178.32 3kx4 h LYS 306 N 0.42 0.87 -0.89 1.82 1.79 -2.00 -2.57 116.57 116.01 3kx4 h LYS 306 Ca 0.20 -0.11 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 3kx4 h LYS 306 Cb 0.13 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.56 3kx4 h LYS 306 CO -0.16 0.67 0.58 1.96 -1.08 0.00 0.00 179.45 181.42 3kx4 h GLN 307 N 0.85 1.10 -0.97 3.15 4.20 -1.87 -1.96 115.11 119.61 3kx4 h GLN 307 Ca 0.22 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3kx4 h GLN 307 Cb 0.06 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.55 3kx4 h GLN 307 CO -0.03 0.73 0.63 0.28 -0.67 0.00 0.00 178.83 179.76 3kx4 h VAL 308 N 1.13 1.25 0.00 -0.54 2.07 -1.05 -0.66 116.25 118.45 3kx4 h VAL 308 Ca 0.35 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3kx4 h VAL 308 Cb -0.02 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.59 3kx4 h VAL 308 CO -0.11 0.25 -0.07 0.11 0.02 0.00 0.00 177.57 177.77 3kx4 h LYS 309 N 1.32 0.00 -0.00 1.57 1.79 -1.15 -1.66 116.57 118.44 3kx4 h LYS 309 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3kx4 h LYS 309 Cb -0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 3kx4 h LYS 309 CO -0.07 0.07 -0.19 1.04 -1.08 0.00 0.00 179.45 179.22 3kx4 n GLN 310 N -3.66 0.14 -1.53 3.15 6.02 -0.27 -4.50 117.38 116.73 3kx4 n GLN 310 Ca -0.02 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 3kx4 n GLN 310 Cb 0.18 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 3kx4 n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kx4 n LEU 311 N -1.39 6.34 -0.05 1.08 4.77 -0.62 -4.74 117.00 122.38 3kx4 n LEU 311 Ca 0.08 -3.83 -0.12 0.00 -0.03 0.00 0.00 56.01 52.11 3kx4 n LEU 311 Cb 0.32 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.84 3kx4 n LEU 311 CO 0.29 0.84 0.70 0.11 -1.33 0.00 0.00 177.39 178.00 3kx4 h LYS 312 N 6.36 0.29 -0.41 3.23 1.79 -1.85 -1.90 116.57 124.08 3kx4 h LYS 312 Ca 0.56 -0.11 -0.09 0.00 -2.18 0.00 0.00 60.65 58.82 3kx4 h LYS 312 Cb 0.60 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3kx4 h LYS 312 CO 1.88 0.57 -0.13 -0.92 -1.08 0.00 0.00 179.45 179.78 3kx4 h TYR 313 N -0.01 0.81 -0.72 -1.35 3.20 -1.98 -1.66 116.97 115.27 3kx4 h TYR 313 Ca 0.04 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 3kx4 h TYR 313 Cb 0.46 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3kx4 h TYR 313 CO 0.05 0.83 0.37 0.28 -1.64 0.00 0.00 178.16 178.05 3kx4 h VAL 314 N 0.67 1.22 -0.62 1.81 2.07 -1.89 0.59 116.25 120.09 3kx4 h VAL 314 Ca 0.11 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3kx4 h VAL 314 Cb 0.60 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3kx4 h VAL 314 CO 0.04 0.25 0.19 1.23 0.02 0.00 0.00 177.57 179.30 3kx4 h GLY 315 N 1.06 1.01 1.23 2.17 0.00 -0.74 -1.51 103.07 106.28 3kx4 h GLY 315 Ca 0.25 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 3kx4 h GLY 315 CO -0.04 0.53 -0.37 -0.33 0.00 0.00 0.00 176.54 176.34 3kx4 h MET 316 N 0.91 0.85 -0.60 4.80 2.07 -0.50 -1.22 114.93 121.24 3kx4 h MET 316 Ca 0.20 -0.43 0.03 0.00 -2.07 0.00 0.00 59.70 57.43 3kx4 h MET 316 Cb 0.26 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.96 3kx4 h MET 316 CO -0.01 1.07 0.37 0.28 1.07 0.00 0.00 176.91 179.69 3kx4 h VAL 317 N 0.70 1.07 -0.40 -2.22 2.07 -0.54 -0.67 116.25 116.26 3kx4 h VAL 317 Ca 0.06 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3kx4 h VAL 317 Cb 0.94 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3kx4 h VAL 317 CO 0.09 0.13 0.02 -0.07 0.02 0.00 0.00 177.57 177.76 3kx4 h LEU 318 N 0.72 0.67 -1.16 2.57 3.38 -1.15 -0.55 115.31 119.80 3kx4 h LEU 318 Ca 0.24 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kx4 h LEU 318 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kx4 h LEU 318 CO -0.10 0.80 0.17 0.78 0.09 0.00 0.00 178.44 180.18 3kx4 h ASN 319 N 0.53 0.69 0.85 -0.43 2.35 -0.96 -0.73 115.58 117.87 3kx4 h ASN 319 Ca 0.12 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 3kx4 h ASN 319 Cb 0.44 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3kx4 h ASN 319 CO 0.02 0.65 -0.69 -0.08 -1.65 0.00 0.00 177.43 175.68 3kx4 h GLU 320 N 0.74 0.00 -0.48 0.81 4.57 -0.80 0.83 114.58 120.25 3kx4 h GLU 320 Ca 0.17 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.22 3kx4 h GLU 320 Cb 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3kx4 h GLU 320 CO -0.01 0.69 -0.22 0.00 -1.18 0.00 0.00 179.01 178.29 3kx4 h ALA 321 N 1.31 0.70 0.00 2.92 0.00 -0.61 -2.67 119.26 120.91 3kx4 h ALA 321 Ca -0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3kx4 h ALA 321 Cb 1.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kx4 h ALA 321 CO 0.09 0.68 -0.37 -0.07 0.00 0.00 0.00 179.25 179.57 3kx4 h LEU 322 N 0.85 0.00 -0.05 0.00 3.38 -0.92 -1.14 115.31 117.43 3kx4 h LEU 322 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kx4 h LEU 322 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kx4 h LEU 322 CO 0.07 0.37 0.01 -0.09 0.09 0.00 0.00 178.44 178.89 3kx4 h ARG 323 N 0.00 0.09 -0.04 1.13 2.43 -0.67 -2.36 114.38 114.95 3kx4 h ARG 323 Ca -0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3kx4 h ARG 323 Cb 0.75 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3kx4 h ARG 323 CO 0.05 0.29 -0.69 -0.07 -1.51 0.00 0.00 179.97 178.04 3kx4 h LEU 324 N -0.14 0.68 -6.07 3.80 3.38 -1.29 -3.39 115.31 112.28 3kx4 h LEU 324 Ca 0.02 -0.71 -0.57 0.00 0.09 0.00 0.00 57.88 56.71 3kx4 h LEU 324 Cb 0.25 -0.21 -0.39 0.00 0.09 0.00 0.00 40.66 40.40 3kx4 h LEU 324 CO 0.00 1.30 -1.02 0.79 0.09 0.00 0.00 178.44 179.60 3kx4 n TRP 325 N -4.11 0.23 -1.67 1.13 7.02 -0.45 -4.87 117.44 114.73 3kx4 n TRP 325 Ca -0.10 -3.64 -0.49 0.00 -1.02 0.00 0.00 57.50 52.26 3kx4 n TRP 325 Cb 0.71 -0.34 -0.05 0.00 -2.42 0.00 0.00 31.31 29.21 3kx4 n TRP 325 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3kx4 n PRO 326 N 1.44 1.95 0.00 -0.99 -0.04 -0.89 -4.62 135.00 131.86 3kx4 n PRO 326 Ca 0.23 0.71 0.13 0.00 -0.04 0.00 0.00 63.50 64.53 3kx4 n PRO 326 Cb 0.51 -2.48 0.51 0.00 -0.04 0.00 0.00 33.50 31.99 3kx4 n PRO 326 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kx4 n THR 327 N 4.02 0.00 -3.86 0.52 -2.24 -1.26 -3.48 114.28 107.98 3kx4 n THR 327 Ca 0.20 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.65 3kx4 n THR 327 Cb 0.26 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 3kx4 n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx4 s ALA 328 N -2.80 3.73 -1.00 6.98 0.00 -1.26 -1.49 121.76 125.92 3kx4 s ALA 328 Ca 0.19 -3.64 0.22 0.00 0.00 0.00 0.00 51.96 48.72 3kx4 s ALA 328 Cb 0.19 -2.31 0.94 0.00 0.00 0.00 0.00 23.12 21.94 3kx4 s ALA 328 CO 0.56 -2.09 1.70 -0.35 0.00 0.00 0.00 175.76 175.59 3kx4 n PRO 329 N 2.46 0.00 -3.76 0.00 -0.04 -1.23 -4.74 135.00 127.69 3kx4 n PRO 329 Ca 0.15 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 3kx4 n PRO 329 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 3kx4 n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kx4 s ALA 330 N -3.00 -0.84 0.08 0.55 0.00 -1.26 -1.26 121.76 116.03 3kx4 s ALA 330 Ca 0.11 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.83 3kx4 s ALA 330 Cb 0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3kx4 s ALA 330 CO 0.40 -0.20 -0.06 -0.59 0.00 0.00 0.00 175.76 175.32 3kx4 s PHE 331 N -0.34 0.79 -0.04 0.00 -0.71 -1.17 -4.99 117.98 111.51 3kx4 s PHE 331 Ca -0.05 -0.95 0.06 0.00 -1.04 0.00 0.00 56.93 54.95 3kx4 s PHE 331 Cb -0.03 -0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 41.28 3kx4 s PHE 331 CO 0.02 -0.21 -0.21 0.45 -1.34 0.00 0.00 175.22 173.93 3kx4 s SER 332 N -2.98 3.45 0.16 1.98 0.15 -1.26 -1.05 113.70 114.15 3kx4 s SER 332 Ca 0.10 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.43 3kx4 s SER 332 Cb 0.06 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 3kx4 s SER 332 CO -0.06 0.31 -0.12 -0.76 1.20 0.00 0.00 173.24 173.81 3kx4 s LEU 333 N -0.54 2.52 0.07 3.45 1.43 0.06 -0.86 118.68 124.82 3kx4 s LEU 333 Ca 0.07 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 3kx4 s LEU 333 Cb -0.11 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 3kx4 s LEU 333 CO 0.01 -0.26 -0.20 -0.72 0.23 0.00 0.00 176.35 175.41 3kx4 s TYR 334 N -3.06 1.72 -0.17 0.29 1.13 -0.28 -0.40 117.35 116.59 3kx4 s TYR 334 Ca 0.17 -0.40 -0.29 0.00 -1.41 0.00 0.00 57.07 55.14 3kx4 s TYR 334 Cb 0.01 -0.98 -0.01 0.00 -1.10 0.00 0.00 41.96 39.87 3kx4 s TYR 334 CO 0.03 0.14 1.21 0.00 -2.51 0.00 0.00 175.55 174.42 3kx4 s ALA 335 N -1.01 3.66 0.42 9.51 0.00 -0.61 -1.89 121.76 131.84 3kx4 s ALA 335 Ca 0.06 0.41 0.14 0.00 0.00 0.00 0.00 51.96 52.56 3kx4 s ALA 335 Cb -0.09 -3.60 0.90 0.00 0.00 0.00 0.00 23.12 20.32 3kx4 s ALA 335 CO 0.03 -1.13 1.93 0.87 0.00 0.00 0.00 175.76 177.46 3kx4 h LYS 336 N 8.02 0.01 -3.84 0.00 1.57 -1.40 0.13 116.57 121.06 3kx4 h LYS 336 Ca -0.25 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3kx4 h LYS 336 Cb 1.10 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.29 3kx4 h LYS 336 CO 0.97 0.25 -0.26 -1.21 -0.57 0.00 0.00 179.45 178.63 3kx4 s GLU 337 N -4.49 1.32 0.47 3.15 0.41 -1.26 -4.70 118.70 113.60 3kx4 s GLU 337 Ca -0.04 -1.23 -0.22 0.00 -0.41 0.00 0.00 54.97 53.07 3kx4 s GLU 337 Cb 0.15 0.41 -0.10 0.00 -1.78 0.00 0.00 34.13 32.82 3kx4 s GLU 337 CO 0.71 -0.51 0.90 -0.25 -0.49 0.00 0.00 175.26 175.62 3kx4 n ASP 338 N -0.29 0.71 -3.69 -0.19 8.00 -1.26 -3.87 116.55 115.96 3kx4 n ASP 338 Ca -0.04 0.95 -0.03 0.00 0.71 0.00 0.00 54.79 56.38 3kx4 n ASP 338 Cb 0.63 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 3kx4 n ASP 338 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kx4 s THR 339 N -1.38 0.00 -0.18 -3.53 -1.32 -0.32 -4.87 115.64 104.04 3kx4 s THR 339 Ca 0.66 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 3kx4 s THR 339 Cb -0.53 -1.85 0.02 0.00 -1.51 0.00 0.00 72.50 68.63 3kx4 s THR 339 CO 0.55 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 172.07 3kx4 s VAL 340 N -3.03 2.06 -0.11 5.08 1.01 -1.26 -0.02 120.40 124.12 3kx4 s VAL 340 Ca 0.12 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 3kx4 s VAL 340 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3kx4 s VAL 340 CO -0.01 0.54 0.61 -0.22 0.00 0.00 0.00 175.10 176.03 3kx4 s LEU 341 N 1.24 4.27 -1.53 3.92 2.96 -0.19 -4.06 118.68 125.29 3kx4 s LEU 341 Ca 0.04 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3kx4 s LEU 341 Cb -0.13 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.64 3kx4 s LEU 341 CO -0.12 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3kx4 n GLY 342 N 3.29 1.43 2.37 7.98 0.00 -1.26 -1.35 105.19 117.64 3kx4 n GLY 342 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kx4 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx4 n GLY 343 N -0.46 1.60 0.00 -0.02 0.00 -1.26 -4.79 105.19 100.27 3kx4 n GLY 343 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kx4 n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kx4 n GLU 344 N -2.00 2.55 -3.85 1.61 1.02 -0.77 -4.04 120.64 115.16 3kx4 n GLU 344 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 3kx4 n GLU 344 Cb 0.00 -0.69 -0.12 0.00 -0.02 0.00 0.00 31.44 30.61 3kx4 n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3kx4 s TYR 345 N -1.09 3.58 0.32 -0.32 2.02 -0.46 -0.12 117.35 121.28 3kx4 s TYR 345 Ca 0.00 -2.67 -0.29 0.00 -0.37 0.00 0.00 57.07 53.74 3kx4 s TYR 345 Cb 0.00 -3.11 -0.11 0.00 -0.40 0.00 0.00 41.96 38.34 3kx4 s TYR 345 CO 0.00 -0.93 1.44 -2.14 -1.57 0.00 0.00 175.55 172.35 3kx4 s PRO 346 N 0.81 4.22 0.06 -1.71 0.02 -1.26 -1.02 135.00 136.11 3kx4 s PRO 346 Ca 0.11 2.41 0.06 0.00 0.02 0.00 0.00 61.00 63.61 3kx4 s PRO 346 Cb -0.22 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 3kx4 s PRO 346 CO -0.05 -0.42 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.51 3kx4 s LEU 347 N -1.42 2.21 0.07 -5.54 1.43 0.96 -4.90 118.68 111.49 3kx4 s LEU 347 Ca 0.54 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3kx4 s LEU 347 Cb -0.44 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 3kx4 s LEU 347 CO 0.54 0.07 0.30 -1.61 0.23 0.00 0.00 176.35 175.88 3kx4 s GLU 348 N -1.39 3.57 0.09 1.70 2.02 -1.26 -1.18 118.70 122.26 3kx4 s GLU 348 Ca 0.04 -0.14 -0.36 0.00 0.02 0.00 0.00 54.97 54.53 3kx4 s GLU 348 Cb -0.09 -2.99 -0.18 0.00 0.10 0.00 0.00 34.13 30.97 3kx4 s GLU 348 CO 0.02 0.58 1.10 1.17 0.02 0.00 0.00 175.26 178.14 3kx4 n LYS 349 N 0.59 0.58 0.00 1.61 4.81 -1.25 -0.71 118.16 123.80 3kx4 n LYS 349 Ca -0.07 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3kx4 n LYS 349 Cb 0.52 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.89 3kx4 n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kx4 n GLY 350 N 1.94 2.03 3.77 3.14 0.00 0.47 -4.91 105.19 111.63 3kx4 n GLY 350 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3kx4 n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kx4 s ASP 351 N -2.75 6.07 -0.06 1.61 1.01 0.12 -4.60 116.67 118.07 3kx4 s ASP 351 Ca 0.00 2.80 -0.13 0.00 0.71 0.00 0.00 52.55 55.94 3kx4 s ASP 351 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3kx4 s ASP 351 CO 0.00 -1.03 0.32 -0.70 0.21 0.00 0.00 175.17 173.97 3kx4 s GLU 352 N -2.36 3.86 0.09 8.23 2.12 -1.26 -1.57 118.70 127.81 3kx4 s GLU 352 Ca 0.59 0.22 0.07 0.00 0.36 0.00 0.00 54.97 56.21 3kx4 s GLU 352 Cb -0.41 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 3kx4 s GLU 352 CO 0.53 0.63 -0.13 -0.51 -0.54 0.00 0.00 175.26 175.24 3kx4 s LEU 353 N -0.77 2.92 -0.10 2.70 1.43 0.47 -2.63 118.68 122.70 3kx4 s LEU 353 Ca 0.20 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3kx4 s LEU 353 Cb -0.15 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3kx4 s LEU 353 CO 0.09 0.19 -0.21 -0.04 0.23 0.00 0.00 176.35 176.61 3kx4 s MET 354 N -2.06 2.77 -0.30 1.70 -1.94 0.01 -0.76 119.30 118.73 3kx4 s MET 354 Ca 0.20 -0.78 -0.20 0.00 -1.71 0.00 0.00 55.69 53.19 3kx4 s MET 354 Cb -0.11 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 3kx4 s MET 354 CO 0.12 0.12 0.63 0.08 -0.01 0.00 0.00 175.02 175.95 3kx4 s VAL 355 N 0.49 4.94 -0.92 -6.03 1.01 -0.21 -0.95 120.40 118.74 3kx4 s VAL 355 Ca -0.16 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 3kx4 s VAL 355 Cb -0.17 -3.99 0.18 0.00 0.00 0.00 0.00 36.38 32.40 3kx4 s VAL 355 CO 0.06 -0.11 1.00 -0.22 0.00 0.00 0.00 175.10 175.82 3kx4 s LEU 356 N 2.60 5.86 0.21 3.92 2.96 -0.67 -3.06 118.68 130.50 3kx4 s LEU 356 Ca 0.25 -2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 51.59 3kx4 s LEU 356 Cb -0.15 -2.31 0.17 0.00 0.50 0.00 0.00 46.19 44.40 3kx4 s LEU 356 CO 0.11 -0.79 1.87 0.40 -1.32 0.00 0.00 176.35 176.62 3kx4 h ILE 357 N 5.17 1.22 0.00 6.68 2.04 -1.48 -1.19 117.51 129.95 3kx4 h ILE 357 Ca 0.15 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3kx4 h ILE 357 Cb 1.01 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3kx4 h ILE 357 CO 0.96 0.22 -0.10 -0.65 0.00 0.00 0.00 178.15 178.58 3kx4 h PRO 358 N 1.08 0.00 0.15 2.37 0.11 -1.88 -1.05 132.00 132.79 3kx4 h PRO 358 Ca 0.29 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.10 3kx4 h PRO 358 Cb -0.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.05 3kx4 h PRO 358 CO -0.06 0.10 -1.40 0.37 -0.21 0.00 0.00 178.00 176.81 3kx4 h GLN 359 N 0.00 0.32 -0.50 1.05 5.75 -1.67 -3.00 115.11 117.06 3kx4 h GLN 359 Ca -0.00 -0.55 0.08 0.00 -0.15 0.00 0.00 58.65 58.03 3kx4 h GLN 359 Cb 0.22 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 3kx4 h GLN 359 CO 0.01 1.23 0.13 1.25 -2.65 0.00 0.00 178.83 178.81 3kx4 h LEU 360 N 0.09 0.07 0.00 -2.39 5.85 -0.91 -1.23 115.31 116.80 3kx4 h LEU 360 Ca -0.20 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3kx4 h LEU 360 Cb 2.03 0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.15 3kx4 h LEU 360 CO 0.20 0.07 0.00 1.41 -0.34 0.00 0.00 178.44 179.78 3kx4 n HIS 361 N -5.07 0.00 -0.64 1.25 8.25 -0.43 -1.30 115.22 117.28 3kx4 n HIS 361 Ca 0.06 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.58 3kx4 n HIS 361 Cb 0.23 -0.16 0.12 0.00 1.12 0.00 0.00 29.99 31.30 3kx4 n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kx4 n ARG 362 N -1.16 2.25 -1.93 -0.41 1.74 -0.48 -4.89 116.66 111.78 3kx4 n ARG 362 Ca 0.05 -2.25 -0.40 0.00 -0.77 0.00 0.00 57.85 54.47 3kx4 n ARG 362 Cb 0.05 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3kx4 n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3kx4 s ASP 363 N -1.95 5.45 0.61 0.55 -1.08 -0.42 -4.82 116.67 115.02 3kx4 s ASP 363 Ca 0.23 0.97 0.35 0.00 -0.52 0.00 0.00 52.55 53.58 3kx4 s ASP 363 Cb 0.19 -2.52 2.00 0.00 -1.46 0.00 0.00 42.92 41.13 3kx4 s ASP 363 CO 0.05 -2.11 2.28 0.11 0.52 0.00 0.00 175.17 176.01 3kx4 h LYS 364 N 14.63 0.00 0.00 4.34 1.57 -1.91 -1.10 116.57 134.10 3kx4 h LYS 364 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3kx4 h LYS 364 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3kx4 h LYS 364 CO 1.11 0.01 0.00 0.25 -0.57 0.00 0.00 179.45 180.25 3kx4 n THR 365 N -3.53 0.69 -0.11 -0.16 -2.24 -1.26 -1.70 114.28 105.97 3kx4 n THR 365 Ca -0.03 0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.62 3kx4 n THR 365 Cb 0.10 -0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 67.35 3kx4 n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kx4 n ILE 366 N -2.00 1.17 0.63 2.28 2.08 -0.56 -4.79 119.36 118.15 3kx4 n ILE 366 Ca 0.04 -0.34 0.11 0.00 0.56 0.00 0.00 62.75 63.11 3kx4 n ILE 366 Cb 0.28 -1.61 -0.06 0.00 -0.75 0.00 0.00 39.64 37.51 3kx4 n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 3kx4 n TRP 367 N -3.68 0.11 -0.22 1.39 7.02 -0.52 -5.06 117.44 116.47 3kx4 n TRP 367 Ca -0.40 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.11 3kx4 n TRP 367 Cb 0.82 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 3kx4 n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kx4 n GLY 368 N 1.40 -3.17 0.15 6.99 0.00 -0.69 -4.69 105.19 105.18 3kx4 n GLY 368 Ca 0.02 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.14 3kx4 n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kx4 h ASP 369 N 0.00 0.00 -0.44 1.61 3.32 -1.97 -3.37 116.42 115.57 3kx4 h ASP 369 Ca 0.00 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 3kx4 h ASP 369 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 3kx4 h ASP 369 CO 0.00 0.01 0.37 -0.90 -1.72 0.00 0.00 179.24 177.00 3kx4 n ASP 370 N -2.75 5.68 0.23 6.45 5.75 -1.26 -4.68 116.55 125.96 3kx4 n ASP 370 Ca 0.03 -2.95 0.15 0.00 -0.01 0.00 0.00 54.79 52.01 3kx4 n ASP 370 Cb 0.52 -0.97 0.60 0.00 -1.03 0.00 0.00 41.12 40.25 3kx4 n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 3kx4 h VAL 371 N 0.87 0.00 -0.00 2.12 -1.51 -1.89 -1.47 116.25 114.38 3kx4 h VAL 371 Ca 0.27 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3kx4 h VAL 371 Cb 1.13 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3kx4 h VAL 371 CO 0.66 0.00 -0.24 -0.62 -1.23 0.00 0.00 177.57 176.13 3kx4 n GLU 372 N -2.81 0.21 -3.04 5.19 -0.58 -1.26 -4.88 120.64 113.46 3kx4 n GLU 372 Ca 0.01 -0.08 -0.39 0.00 -0.42 0.00 0.00 57.16 56.28 3kx4 n GLU 372 Cb 0.29 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3kx4 n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kx4 s GLU 373 N -2.85 4.48 -0.57 3.49 0.41 -0.55 -5.00 118.70 118.10 3kx4 s GLU 373 Ca 0.17 1.06 -0.24 0.00 -0.41 0.00 0.00 54.97 55.55 3kx4 s GLU 373 Cb 0.19 -3.22 0.05 0.00 -1.78 0.00 0.00 34.13 29.37 3kx4 s GLU 373 CO 0.58 0.56 0.94 0.12 -0.49 0.00 0.00 175.26 176.98 3kx4 s PHE 374 N -1.18 2.77 -0.39 1.61 5.36 -1.26 -4.96 117.98 119.92 3kx4 s PHE 374 Ca 0.35 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.22 3kx4 s PHE 374 Cb -0.22 -4.10 0.15 0.00 -0.34 0.00 0.00 43.02 38.51 3kx4 s PHE 374 CO 0.25 -1.41 0.27 0.50 -1.46 0.00 0.00 175.22 173.37 3kx4 s ARG 375 N 3.96 0.80 0.65 10.12 3.52 -1.26 -4.99 118.95 131.76 3kx4 s ARG 375 Ca 0.28 -1.75 0.37 0.00 -0.13 0.00 0.00 55.73 54.51 3kx4 s ARG 375 Cb -0.13 -1.49 2.06 0.00 -1.56 0.00 0.00 34.95 33.83 3kx4 s ARG 375 CO 0.17 -1.28 2.19 -1.35 -0.81 0.00 0.00 175.30 174.23 3kx4 h PRO 376 N 6.41 0.00 0.00 5.12 0.11 -1.93 -0.89 132.00 140.82 3kx4 h PRO 376 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kx4 h PRO 376 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kx4 h PRO 376 CO 0.34 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.52 3kx4 n GLU 377 N -3.15 0.13 0.01 1.05 4.71 -1.26 -1.29 120.64 120.84 3kx4 n GLU 377 Ca -0.02 0.42 0.23 0.00 -0.01 0.00 0.00 57.16 57.77 3kx4 n GLU 377 Cb 0.20 -1.77 0.72 0.00 -1.01 0.00 0.00 31.44 29.58 3kx4 n GLU 377 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kx4 h ARG 378 N 0.00 0.00 -0.49 3.49 3.08 -1.56 -2.17 114.38 116.73 3kx4 h ARG 378 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kx4 h ARG 378 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3kx4 h ARG 378 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3kx4 n PHE 379 N -3.83 1.70 -0.05 3.04 3.72 -0.41 -4.52 117.46 117.10 3kx4 n PHE 379 Ca 0.11 -0.76 -0.10 0.00 -0.05 0.00 0.00 57.45 56.65 3kx4 n PHE 379 Cb 0.75 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.82 3kx4 n PHE 379 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kx4 h GLU 380 N 3.37 0.29 -3.18 -1.08 4.57 -1.56 -3.37 114.58 113.62 3kx4 h GLU 380 Ca 0.00 -0.03 -0.63 0.00 -1.18 0.00 0.00 59.36 57.52 3kx4 h GLU 380 Cb 1.78 -0.06 -0.41 0.00 -0.16 0.00 0.00 28.75 29.90 3kx4 h GLU 380 CO 0.39 0.27 -0.65 1.21 -1.18 0.00 0.00 179.01 179.05 3kx4 s ASN 381 N -5.49 4.19 0.56 1.04 2.47 -1.26 -4.94 114.94 111.51 3kx4 s ASN 381 Ca -0.13 -3.16 0.25 0.00 0.42 0.00 0.00 52.86 50.23 3kx4 s ASN 381 Cb 0.08 -1.46 1.51 0.00 -1.45 0.00 0.00 41.25 39.92 3kx4 s ASN 381 CO 0.70 -0.20 2.09 -0.65 -3.72 0.00 0.00 177.10 175.33 3kx4 h PRO 382 N 6.22 0.00 0.00 0.43 0.11 -1.88 -1.26 132.00 135.62 3kx4 h PRO 382 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3kx4 h PRO 382 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kx4 h PRO 382 CO 0.64 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.20 3kx4 h SER 383 N 0.00 0.00 0.30 -2.05 0.02 -1.96 -0.68 113.55 109.18 3kx4 h SER 383 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kx4 h SER 383 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3kx4 h SER 383 CO -0.00 0.00 -0.64 0.00 -1.14 0.00 0.00 176.83 175.05 3kx4 n ALA 384 N -1.98 3.90 -2.64 3.77 0.00 -0.47 -4.83 120.51 118.26 3kx4 n ALA 384 Ca -0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 3kx4 n ALA 384 Cb 0.19 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 3kx4 n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kx4 s ILE 385 N -2.94 4.78 0.47 0.00 1.01 -0.26 -5.01 121.20 119.25 3kx4 s ILE 385 Ca 0.11 1.52 -0.23 0.00 0.00 0.00 0.00 60.65 62.05 3kx4 s ILE 385 Cb 0.17 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 3kx4 s ILE 385 CO 0.74 -0.17 1.18 -2.65 0.00 0.00 0.00 174.94 174.04 3kx4 n PRO 386 N 6.16 1.58 -1.84 2.79 -0.02 -1.26 -4.93 135.00 137.48 3kx4 n PRO 386 Ca 0.06 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.71 3kx4 n PRO 386 Cb 0.47 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3kx4 n PRO 386 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kx4 s GLN 387 N -2.38 3.87 0.00 -0.52 0.74 -1.26 -2.29 119.66 117.82 3kx4 s GLN 387 Ca 0.66 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.49 3kx4 s GLN 387 Cb -0.49 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 30.85 3kx4 s GLN 387 CO 0.54 -0.67 0.00 0.72 -0.55 0.00 0.00 175.29 175.33 3kx4 n HIS 388 N 0.07 0.00 0.12 1.67 8.25 -1.26 -4.87 115.22 119.20 3kx4 n HIS 388 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.49 3kx4 n HIS 388 Cb 0.41 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.56 3kx4 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kx4 h ALA 389 N 0.00 0.64 -3.40 -1.41 0.00 -1.81 -3.43 119.26 109.85 3kx4 h ALA 389 Ca 0.00 -0.61 -0.59 0.00 0.00 0.00 0.00 54.91 53.71 3kx4 h ALA 389 Cb 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 17.29 3kx4 h ALA 389 CO 0.00 0.84 -0.76 0.12 0.00 0.00 0.00 179.25 179.45 3kx4 s PHE 390 N -3.04 2.04 -0.39 0.00 5.36 -1.26 -4.46 117.98 116.23 3kx4 s PHE 390 Ca 0.02 -1.72 0.12 0.00 -0.96 0.00 0.00 56.93 54.38 3kx4 s PHE 390 Cb 0.09 -1.68 0.43 0.00 -0.34 0.00 0.00 43.02 41.52 3kx4 s PHE 390 CO 0.76 -0.80 0.99 1.63 -1.46 0.00 0.00 175.22 176.34 3kx4 n LYS 391 N 4.76 2.11 0.27 10.12 5.02 -1.26 -4.87 118.16 134.30 3kx4 n LYS 391 Ca -0.06 -3.84 0.18 0.00 -2.02 0.00 0.00 58.31 52.57 3kx4 n LYS 391 Cb 0.44 -1.73 0.85 0.00 -0.02 0.00 0.00 35.03 34.57 3kx4 n LYS 391 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kx4 h PRO 392 N 2.85 0.00 -0.40 1.97 0.13 -1.96 -2.79 132.00 131.80 3kx4 h PRO 392 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3kx4 h PRO 392 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3kx4 h PRO 392 CO 0.65 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.61 3kx4 n PHE 393 N -2.87 1.20 -3.69 1.56 3.72 -1.26 -4.74 117.46 111.37 3kx4 n PHE 393 Ca -0.01 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 3kx4 n PHE 393 Cb 0.17 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3kx4 n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kx4 n GLY 394 N 0.16 -0.59 2.87 1.37 0.00 -1.05 -0.57 105.19 107.37 3kx4 n GLY 394 Ca 0.22 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3kx4 n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kx4 s ASN 395 N -4.00 0.16 1.16 1.61 2.47 -1.26 -4.85 114.94 110.23 3kx4 s ASN 395 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.27 3kx4 s ASN 395 Cb 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 3kx4 s ASN 395 CO 0.00 -0.02 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 3kx4 n GLY 396 N 3.33 3.11 0.22 1.21 0.00 -1.26 -1.58 105.19 110.22 3kx4 n GLY 396 Ca -0.16 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.69 3kx4 n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kx4 h GLN 397 N 0.00 0.00 -0.65 1.61 3.07 -1.99 -1.99 115.11 115.16 3kx4 h GLN 397 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kx4 h GLN 397 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3kx4 h GLN 397 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.46 3kx4 n ARG 398 N -2.87 3.73 -1.43 0.06 5.12 -0.89 -4.97 116.66 115.41 3kx4 n ARG 398 Ca 0.02 -2.42 -0.30 0.00 -1.93 0.00 0.00 57.85 53.22 3kx4 n ARG 398 Cb 0.36 -1.97 0.11 0.00 -1.16 0.00 0.00 32.46 29.80 3kx4 n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kx4 s ALA 399 N -2.14 1.95 -0.18 7.54 0.00 -0.62 -4.39 121.76 123.92 3kx4 s ALA 399 Ca 0.42 -0.19 -0.37 0.00 0.00 0.00 0.00 51.96 51.82 3kx4 s ALA 399 Cb 0.30 -3.13 -0.13 0.00 0.00 0.00 0.00 23.12 20.16 3kx4 s ALA 399 CO 0.16 -2.00 1.83 0.00 0.00 0.00 0.00 175.76 175.75 3kx4 h GLU 401 N 8.46 0.68 -0.40 0.00 4.57 -1.91 -3.15 114.58 122.83 3kx4 h GLU 401 Ca -0.47 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3kx4 h GLU 401 Cb 1.29 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3kx4 h GLU 401 CO 0.96 0.49 0.00 0.41 -1.18 0.00 0.00 179.01 179.68 3kx4 n GLY 402 N -1.35 0.83 0.10 1.92 0.00 -1.26 -4.60 105.19 100.83 3kx4 n GLY 402 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3kx4 n GLY 402 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kx4 h GLN 403 N 2.18 0.03 -0.30 1.61 4.15 -1.88 0.16 115.11 121.06 3kx4 h GLN 403 Ca 0.00 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 3kx4 h GLN 403 Cb 0.54 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3kx4 h GLN 403 CO 0.01 0.02 -0.45 1.96 -1.93 0.00 0.00 178.83 178.45 3kx4 h GLN 404 N 0.04 0.78 -0.13 1.69 7.50 -1.81 -2.23 115.11 120.94 3kx4 h GLN 404 Ca 0.09 -0.43 0.03 0.00 0.50 0.00 0.00 58.65 58.84 3kx4 h GLN 404 Cb 0.12 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 3kx4 h GLN 404 CO -0.17 1.06 -0.05 0.35 -1.50 0.00 0.00 178.83 178.52 3kx4 h PHE 405 N 0.62 -0.13 -0.57 2.96 3.04 -1.64 0.28 116.94 121.51 3kx4 h PHE 405 Ca 0.04 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 3kx4 h PHE 405 Cb 1.01 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.57 3kx4 h PHE 405 CO 0.06 -0.09 0.23 0.00 -2.02 0.00 0.00 178.31 176.49 3kx4 h ALA 406 N 1.08 0.74 -0.10 2.41 0.00 -0.62 -0.45 119.26 122.32 3kx4 h ALA 406 Ca 0.07 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3kx4 h ALA 406 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kx4 h ALA 406 CO -0.15 0.34 -0.73 -0.07 0.00 0.00 0.00 179.25 178.64 3kx4 h LEU 407 N 0.78 0.59 -0.15 0.00 3.38 -1.30 -0.27 115.31 118.33 3kx4 h LEU 407 Ca 0.19 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3kx4 h LEU 407 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kx4 h LEU 407 CO -0.02 1.14 0.07 -0.74 0.09 0.00 0.00 178.44 178.98 3kx4 h HIS 408 N 0.34 0.22 -0.08 1.13 2.76 -0.71 -0.79 115.15 118.02 3kx4 h HIS 408 Ca -0.03 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3kx4 h HIS 408 Cb 1.32 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.19 3kx4 h HIS 408 CO 0.05 0.27 -0.05 1.49 -1.30 0.00 0.00 177.93 178.39 3kx4 h GLU 409 N 0.11 -0.05 -0.13 5.26 4.57 -0.98 -0.92 114.58 122.43 3kx4 h GLU 409 Ca 0.05 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.09 3kx4 h GLU 409 Cb 0.13 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3kx4 h GLU 409 CO -0.01 -0.03 -0.55 0.00 -1.18 0.00 0.00 179.01 177.24 3kx4 h ALA 410 N 1.02 0.81 -0.20 2.92 0.00 -0.95 -0.60 119.26 122.26 3kx4 h ALA 410 Ca 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3kx4 h ALA 410 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kx4 h ALA 410 CO -0.12 0.69 -0.08 1.15 0.00 0.00 0.00 179.25 180.89 3kx4 h THR 411 N 0.31 1.30 0.22 0.00 2.02 -0.99 -0.37 112.91 115.40 3kx4 h THR 411 Ca 0.00 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 3kx4 h THR 411 Cb 1.06 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3kx4 h THR 411 CO 0.09 0.34 -0.17 0.25 0.37 0.00 0.00 175.52 176.41 3kx4 h LEU 412 N 0.11 -0.43 -0.15 2.58 5.85 -0.93 -1.25 115.31 121.09 3kx4 h LEU 412 Ca 0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3kx4 h LEU 412 Cb 0.56 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3kx4 h LEU 412 CO 0.03 -0.26 0.02 0.58 -0.34 0.00 0.00 178.44 178.46 3kx4 h VAL 413 N -0.39 1.23 -0.38 1.05 2.07 -1.08 -1.24 116.25 117.50 3kx4 h VAL 413 Ca -0.01 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3kx4 h VAL 413 Cb 0.35 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3kx4 h VAL 413 CO -0.01 0.22 -0.07 0.25 0.02 0.00 0.00 177.57 177.98 3kx4 h LEU 414 N 0.02 0.61 -0.16 2.57 5.85 -1.10 0.51 115.31 123.62 3kx4 h LEU 414 Ca 0.04 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3kx4 h LEU 414 Cb 0.31 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kx4 h LEU 414 CO 0.00 0.72 0.10 1.23 -0.34 0.00 0.00 178.44 180.16 3kx4 h GLY 415 N 0.94 0.22 1.22 3.75 0.00 -0.90 -1.49 103.07 106.81 3kx4 h GLY 415 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3kx4 h GLY 415 CO 0.02 0.08 0.06 -0.33 0.00 0.00 0.00 176.54 176.38 3kx4 h MET 416 N 0.21 0.95 -0.25 4.80 2.86 -0.59 -1.02 114.93 121.89 3kx4 h MET 416 Ca 0.06 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3kx4 h MET 416 Cb -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3kx4 h MET 416 CO -0.02 0.90 0.16 0.52 1.06 0.00 0.00 176.91 179.54 3kx4 h MET 417 N 0.89 0.33 0.00 1.72 2.07 -0.68 -1.54 114.93 117.72 3kx4 h MET 417 Ca 0.18 -0.02 -0.08 0.00 -2.07 0.00 0.00 59.70 57.71 3kx4 h MET 417 Cb 0.44 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 3kx4 h MET 417 CO 0.01 0.22 -0.39 -0.07 1.07 0.00 0.00 176.91 177.75 3kx4 h LEU 418 N 0.34 0.00 -0.35 1.22 3.38 -1.03 -1.51 115.31 117.35 3kx4 h LEU 418 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3kx4 h LEU 418 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kx4 h LEU 418 CO -0.03 0.39 -0.05 0.50 0.09 0.00 0.00 178.44 179.34 3kx4 h LYS 419 N 0.00 0.64 0.00 1.13 3.64 -0.89 -3.38 116.57 117.71 3kx4 h LYS 419 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3kx4 h LYS 419 Cb 0.88 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3kx4 h LYS 419 CO 0.05 0.79 -1.35 0.72 -2.27 0.00 0.00 179.45 177.39 3kx4 n HIS 420 N -4.46 0.21 -4.00 1.91 8.25 -0.61 -4.85 115.22 111.69 3kx4 n HIS 420 Ca -0.02 0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 3kx4 n HIS 420 Cb 0.31 -0.44 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 3kx4 n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kx4 s PHE 421 N -3.29 0.30 -0.02 4.41 0.08 -0.59 -1.01 117.98 117.85 3kx4 s PHE 421 Ca 0.00 -0.62 -0.14 0.00 0.12 0.00 0.00 56.93 56.30 3kx4 s PHE 421 Cb 0.14 -0.22 -0.05 0.00 -0.57 0.00 0.00 43.02 42.31 3kx4 s PHE 421 CO 0.85 -0.22 0.37 -0.51 -0.10 0.00 0.00 175.22 175.61 3kx4 s ASP 422 N -1.71 6.75 0.01 1.36 1.01 -0.14 -4.63 116.67 119.31 3kx4 s ASP 422 Ca -0.12 0.89 0.03 0.00 0.71 0.00 0.00 52.55 54.06 3kx4 s ASP 422 Cb -0.07 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 3kx4 s ASP 422 CO -0.03 0.32 -0.05 -0.36 0.21 0.00 0.00 175.17 175.27 3kx4 s PHE 423 N -1.00 2.94 -0.10 4.23 0.08 -1.26 -0.22 117.98 122.64 3kx4 s PHE 423 Ca 0.23 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.30 3kx4 s PHE 423 Cb -0.16 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 3kx4 s PHE 423 CO 0.12 0.40 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.44 3kx4 s GLU 424 N -1.51 2.67 -1.39 0.44 2.12 0.89 -4.96 118.70 116.96 3kx4 s GLU 424 Ca 0.18 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.62 3kx4 s GLU 424 Cb -0.11 -2.10 0.02 0.00 0.26 0.00 0.00 34.13 32.20 3kx4 s GLU 424 CO 0.09 0.08 2.18 -3.47 -0.54 0.00 0.00 175.26 173.60 3kx4 n ASP 425 N 3.78 3.77 0.24 -1.70 2.03 -1.26 -1.41 116.55 122.00 3kx4 n ASP 425 Ca -0.20 -2.83 0.16 0.00 0.52 0.00 0.00 54.79 52.45 3kx4 n ASP 425 Cb 0.52 -1.61 0.73 0.00 -0.72 0.00 0.00 41.12 40.04 3kx4 n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3kx4 h HIS 426 N 6.24 0.00 -0.25 -0.67 2.07 -1.92 -2.24 115.15 118.38 3kx4 h HIS 426 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 3kx4 h HIS 426 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3kx4 h HIS 426 CO 1.44 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 176.55 3kx4 n THR 427 N -2.80 0.42 -3.78 6.12 -2.24 -1.26 -4.97 114.28 105.76 3kx4 n THR 427 Ca 0.00 -0.71 -0.32 0.00 -2.27 0.00 0.00 64.05 60.75 3kx4 n THR 427 Cb 0.22 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 3kx4 n THR 427 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kx4 n ASN 428 N 1.10 -4.14 -4.66 3.42 3.02 -0.84 -4.77 115.26 108.38 3kx4 n ASN 428 Ca 0.14 -1.05 -0.46 0.00 -0.03 0.00 0.00 54.58 53.18 3kx4 n ASN 428 Cb 0.49 -3.11 -0.04 0.00 -0.61 0.00 0.00 39.78 36.51 3kx4 n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kx4 n TYR 429 N -4.34 2.14 -3.44 3.10 9.36 -1.26 -4.96 117.16 117.76 3kx4 n TYR 429 Ca -0.14 0.38 -0.40 0.00 3.32 0.00 0.00 57.90 61.07 3kx4 n TYR 429 Cb 0.61 -2.48 -0.10 0.00 -0.63 0.00 0.00 39.34 36.74 3kx4 n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3kx4 s GLU 430 N 0.23 3.72 -0.11 2.98 2.12 -1.26 -5.02 118.70 121.35 3kx4 s GLU 430 Ca 0.74 -0.32 -0.36 0.00 0.36 0.00 0.00 54.97 55.39 3kx4 s GLU 430 Cb -0.69 -3.75 -0.14 0.00 0.26 0.00 0.00 34.13 29.81 3kx4 s GLU 430 CO 0.44 -0.41 1.75 -0.11 -0.54 0.00 0.00 175.26 176.40 3kx4 n LEU 431 N 5.30 2.88 -3.72 2.70 7.94 -1.26 -4.95 117.00 125.88 3kx4 n LEU 431 Ca -0.10 1.03 -0.28 0.00 -1.11 0.00 0.00 56.01 55.55 3kx4 n LEU 431 Cb 0.50 -1.28 -0.16 0.00 0.53 0.00 0.00 43.42 43.01 3kx4 n LEU 431 CO 0.38 -0.30 -0.36 -0.62 -1.11 0.00 0.00 177.39 175.39 3kx4 s ASP 432 N 3.24 3.21 -0.40 1.96 2.15 -1.26 -5.07 116.67 120.49 3kx4 s ASP 432 Ca 0.93 -1.03 -0.16 0.00 0.43 0.00 0.00 52.55 52.71 3kx4 s ASP 432 Cb -0.85 -0.64 0.01 0.00 -0.30 0.00 0.00 42.92 41.14 3kx4 s ASP 432 CO 0.55 -0.34 0.40 -0.63 -0.17 0.00 0.00 175.17 174.98 3kx4 s ILE 433 N 1.82 5.13 0.09 4.11 1.01 -1.26 -0.34 121.20 131.77 3kx4 s ILE 433 Ca 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 3kx4 s ILE 433 Cb -0.17 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 3kx4 s ILE 433 CO -0.14 -0.34 0.68 -0.75 0.00 0.00 0.00 174.94 174.39 3kx4 s LYS 434 N 2.03 4.40 -0.18 2.79 2.20 -0.62 -4.92 119.74 125.44 3kx4 s LYS 434 Ca 0.11 0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 56.65 3kx4 s LYS 434 Cb -0.17 -3.28 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3kx4 s LYS 434 CO 0.13 0.51 -0.12 -1.21 -0.36 0.00 0.00 175.35 174.30 3kx4 s GLU 435 N -0.80 3.24 0.00 4.03 2.02 -1.26 -2.39 118.70 123.54 3kx4 s GLU 435 Ca 0.33 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.60 3kx4 s GLU 435 Cb -0.21 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3kx4 s GLU 435 CO 0.22 -0.08 0.00 0.25 0.02 0.00 0.00 175.26 175.67 3kx4 n THR 436 N 4.36 0.00 0.28 3.63 -2.24 -1.26 -4.91 114.28 114.14 3kx4 n THR 436 Ca -0.19 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 3kx4 n THR 436 Cb 0.51 0.00 0.84 0.00 -2.10 0.00 0.00 70.33 69.58 3kx4 n THR 436 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kx4 h LEU 437 N 0.00 0.00 -9.22 3.22 5.85 -1.96 -3.46 115.31 109.74 3kx4 h LEU 437 Ca 0.00 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.22 3kx4 h LEU 437 Cb 0.00 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 40.90 3kx4 h LEU 437 CO 0.00 0.07 -0.52 0.42 -0.34 0.00 0.00 178.44 178.06 3kx4 s THR 438 N -4.17 0.44 -0.02 1.05 -4.23 -1.26 -4.61 115.64 102.85 3kx4 s THR 438 Ca -0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 3kx4 s THR 438 Cb 0.13 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 3kx4 s THR 438 CO 0.54 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.78 3kx4 s LEU 439 N -3.50 3.08 -0.01 4.79 1.43 -0.56 -4.24 118.68 119.68 3kx4 s LEU 439 Ca 0.30 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 3kx4 s LEU 439 Cb 0.03 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.54 3kx4 s LEU 439 CO 0.18 0.31 0.35 -1.59 0.23 0.00 0.00 176.35 175.82 3kx4 s LYS 440 N -1.21 0.74 -0.88 1.70 -2.85 -1.01 -4.62 119.74 111.61 3kx4 s LYS 440 Ca 0.15 -0.21 -0.24 0.00 -1.00 0.00 0.00 55.97 54.68 3kx4 s LYS 440 Cb -0.11 0.33 0.05 0.00 -2.06 0.00 0.00 37.83 36.04 3kx4 s LYS 440 CO 0.05 -0.22 1.31 -1.25 0.10 0.00 0.00 175.35 175.34 3kx4 s PRO 441 N -1.56 3.41 0.24 1.78 0.04 -1.26 -1.59 135.00 136.06 3kx4 s PRO 441 Ca -0.12 -0.87 -0.31 0.00 0.04 0.00 0.00 61.00 59.74 3kx4 s PRO 441 Cb -0.04 -4.79 -0.12 0.00 0.04 0.00 0.00 34.50 29.59 3kx4 s PRO 441 CO 0.03 -2.10 1.67 -1.91 0.04 0.00 0.00 177.00 174.74 3kx4 n GLU 442 N 8.67 2.75 -1.00 4.56 2.13 0.54 -2.58 120.64 135.71 3kx4 n GLU 442 Ca 0.18 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.99 3kx4 n GLU 442 Cb 0.50 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3kx4 n GLU 442 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kx4 n GLY 443 N 3.21 0.51 3.70 8.31 0.00 -1.26 -4.53 105.19 115.13 3kx4 n GLY 443 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3kx4 n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kx4 s PHE 444 N -2.13 2.97 0.04 1.61 5.36 -1.06 -4.97 117.98 119.79 3kx4 s PHE 444 Ca 0.00 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 3kx4 s PHE 444 Cb 0.00 -3.75 -0.02 0.00 -0.34 0.00 0.00 43.02 38.91 3kx4 s PHE 444 CO 0.00 -2.75 -0.07 0.14 -1.46 0.00 0.00 175.22 171.08 3kx4 s VAL 445 N 1.75 0.48 0.27 3.12 -7.23 -1.26 -1.51 120.40 116.02 3kx4 s VAL 445 Ca 0.66 -1.02 -0.00 0.00 -1.81 0.00 0.00 61.98 59.82 3kx4 s VAL 445 Cb -0.36 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 3kx4 s VAL 445 CO 0.30 -0.37 0.27 0.68 -0.31 0.00 0.00 175.10 175.67 3kx4 s VAL 446 N -1.32 0.00 -0.02 1.32 -7.23 -1.04 -4.65 120.40 107.46 3kx4 s VAL 446 Ca -0.10 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 3kx4 s VAL 446 Cb -0.10 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 3kx4 s VAL 446 CO 0.00 0.00 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.02 3kx4 s LYS 447 N -3.74 2.16 -0.14 4.82 1.02 -0.50 -0.94 119.74 122.41 3kx4 s LYS 447 Ca 0.36 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.46 3kx4 s LYS 447 Cb 0.03 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3kx4 s LYS 447 CO 0.18 0.57 -0.18 0.00 -0.92 0.00 0.00 175.35 174.99 3kx4 s ALA 448 N -0.66 2.40 -0.28 5.17 0.00 -1.26 -0.08 121.76 127.05 3kx4 s ALA 448 Ca 0.11 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 3kx4 s ALA 448 Cb -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 3kx4 s ALA 448 CO -0.00 0.03 0.13 0.15 0.00 0.00 0.00 175.76 176.07 3kx4 s LYS 449 N 0.72 3.59 0.29 0.00 3.01 0.69 -4.95 119.74 123.09 3kx4 s LYS 449 Ca -0.08 -0.54 -0.29 0.00 -1.01 0.00 0.00 55.97 54.05 3kx4 s LYS 449 Cb -0.16 -3.50 -0.10 0.00 -1.01 0.00 0.00 37.83 33.07 3kx4 s LYS 449 CO 0.01 -0.28 1.32 0.45 0.51 0.00 0.00 175.35 177.36 3kx4 s SER 450 N 1.65 6.80 0.00 2.83 0.15 -1.26 -0.97 113.70 122.89 3kx4 s SER 450 Ca 0.06 2.62 0.31 0.00 0.70 0.00 0.00 55.95 59.63 3kx4 s SER 450 Cb -0.16 -2.64 1.60 0.00 -1.71 0.00 0.00 66.02 63.11 3kx4 s SER 450 CO 0.06 -0.54 2.06 0.29 1.20 0.00 0.00 173.24 176.31 3kx4 n LYS 451 N 1.38 1.02 -3.49 5.44 5.02 -0.18 -4.86 118.16 122.49 3kx4 n LYS 451 Ca 0.02 -0.23 -0.20 0.00 -2.02 0.00 0.00 58.31 55.89 3kx4 n LYS 451 Cb 0.42 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.02 3kx4 n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kx4 n LYS 452 N -0.79 -7.13 -3.61 1.97 4.76 -1.26 -4.99 118.16 107.11 3kx4 n LYS 452 Ca 0.21 0.84 -0.39 0.00 -2.87 0.00 0.00 58.31 56.10 3kx4 n LYS 452 Cb 0.20 -5.87 -0.11 0.00 -1.84 0.00 0.00 35.03 27.40 3kx4 n LYS 452 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kx4 s ILE 453 N -3.34 4.86 0.71 -0.18 1.01 -1.26 -5.07 121.20 117.92 3kx4 s ILE 453 Ca 0.22 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 3kx4 s ILE 453 Cb -0.10 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.93 3kx4 s ILE 453 CO 0.73 0.06 1.20 -2.84 0.00 0.00 0.00 174.94 174.09 3kx4 s PRO 454 N 1.66 2.26 0.00 2.79 0.02 -1.26 -5.02 135.00 135.45 3kx4 s PRO 454 Ca 0.05 1.75 0.25 0.00 0.02 0.00 0.00 61.00 63.07 3kx4 s PRO 454 Cb -0.17 -1.85 0.36 0.00 0.02 0.00 0.00 34.50 32.86 3kx4 s PRO 454 CO 0.08 -1.74 1.36 1.28 -0.33 0.00 0.00 177.00 177.64