#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bu7 s ILE 2 N 0.00 4.69 -0.04 2.28 1.09 -1.26 -3.69 121.20 124.26 1bu7 s ILE 2 Ca 0.00 1.98 0.04 0.00 -1.10 0.00 0.00 60.65 61.57 1bu7 s ILE 2 Cb 0.00 -4.28 -0.03 0.00 -1.06 0.00 0.00 42.46 37.10 1bu7 s ILE 2 CO 0.00 -0.05 -0.14 -0.75 -0.10 0.00 0.00 174.94 173.90 1bu7 s LYS 3 N 2.42 2.50 0.10 2.79 2.20 -0.29 -5.05 119.74 124.42 1bu7 s LYS 3 Ca 0.48 -0.70 -0.28 0.00 -0.36 0.00 0.00 55.97 55.11 1bu7 s LYS 3 Cb -0.18 -2.39 -0.06 0.00 -1.51 0.00 0.00 37.83 33.69 1bu7 s LYS 3 CO 0.15 0.62 0.88 -2.00 -0.36 0.00 0.00 175.35 174.64 1bu7 s GLU 4 N -0.80 4.64 0.23 4.03 2.12 -1.26 -4.68 118.70 122.97 1bu7 s GLU 4 Ca 0.12 1.31 -0.05 0.00 0.36 0.00 0.00 54.97 56.71 1bu7 s GLU 4 Cb -0.11 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1bu7 s GLU 4 CO 0.01 0.29 0.48 0.00 -0.54 0.00 0.00 175.26 175.50 1bu7 s MET 5 N -0.21 3.63 0.99 4.30 0.23 -1.26 -5.07 119.30 121.91 1bu7 s MET 5 Ca 0.43 -0.05 -0.13 0.00 -1.03 0.00 0.00 55.69 54.91 1bu7 s MET 5 Cb -0.23 -2.73 0.18 0.00 -1.53 0.00 0.00 34.83 30.53 1bu7 s MET 5 CO 0.27 0.32 1.12 -1.25 -2.03 0.00 0.00 175.02 173.45 1bu7 s PRO 6 N -3.21 0.52 -0.18 3.16 0.04 -1.26 -4.76 135.00 129.31 1bu7 s PRO 6 Ca 0.43 0.34 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 1bu7 s PRO 6 Cb -0.11 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.72 1bu7 s PRO 6 CO 0.27 -2.63 0.44 -1.14 0.04 0.00 0.00 177.00 173.98 1bu7 s GLN 7 N -5.14 0.44 1.21 4.56 0.74 -1.26 -1.48 119.66 118.72 1bu7 s GLN 7 Ca 0.65 0.80 -0.18 0.00 0.05 0.00 0.00 55.36 56.69 1bu7 s GLN 7 Cb -0.16 0.03 0.29 0.00 1.10 0.00 0.00 33.01 34.27 1bu7 s GLN 7 CO 0.56 -0.14 1.06 -1.25 -0.55 0.00 0.00 175.29 174.96 1bu7 s PRO 8 N 1.25 -1.30 0.30 1.67 0.04 -1.26 -4.93 135.00 130.78 1bu7 s PRO 8 Ca -0.08 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.85 1bu7 s PRO 8 Cb -0.07 -1.57 -0.13 0.00 0.04 0.00 0.00 34.50 32.77 1bu7 s PRO 8 CO -0.11 -3.81 1.26 1.17 0.04 0.00 0.00 177.00 175.54 1bu7 n LYS 9 N -4.88 1.92 -4.24 4.56 4.81 -1.26 -4.93 118.16 114.14 1bu7 n LYS 9 Ca 0.10 0.68 -0.24 0.00 -0.87 0.00 0.00 58.31 57.97 1bu7 n LYS 9 Cb 0.59 -2.23 -0.07 0.00 0.02 0.00 0.00 35.03 33.34 1bu7 n LYS 9 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1bu7 s THR 10 N -0.82 3.65 -0.56 3.15 -4.23 -1.26 -4.48 115.64 111.09 1bu7 s THR 10 Ca 0.60 -1.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.51 1bu7 s THR 10 Cb -0.62 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 70.51 1bu7 s THR 10 CO 0.59 -0.26 0.52 0.49 -0.54 0.00 0.00 174.62 175.42 1bu7 n PHE 11 N -0.58 1.67 -3.39 3.99 3.01 0.76 -4.94 117.46 117.98 1bu7 n PHE 11 Ca -0.08 -3.89 0.00 0.00 1.01 0.00 0.00 57.45 54.49 1bu7 n PHE 11 Cb 0.57 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1bu7 n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bu7 n GLY 12 N 1.82 2.25 0.00 1.37 0.00 -1.26 -1.65 105.19 107.73 1bu7 n GLY 12 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1bu7 n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bu7 n GLU 13 N 12.20 0.14 0.03 1.61 0.28 -1.26 -0.75 120.64 132.89 1bu7 n GLU 13 Ca 0.00 0.19 0.12 0.00 -0.16 0.00 0.00 57.16 57.31 1bu7 n GLU 13 Cb 0.00 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 31.65 1bu7 n GLU 13 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1bu7 n LEU 14 N -1.27 0.51 0.00 -1.84 4.77 -0.66 -4.44 117.00 114.07 1bu7 n LEU 14 Ca 0.04 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1bu7 n LEU 14 Cb 0.07 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1bu7 n LEU 14 CO 0.07 0.03 0.00 0.29 -1.33 0.00 0.00 177.39 176.45 1bu7 n LYS 15 N -1.74 0.00 0.00 3.23 4.76 0.07 -1.51 118.16 122.97 1bu7 n LYS 15 Ca 0.05 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.63 1bu7 n LYS 15 Cb 0.38 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.09 1bu7 n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bu7 n ASN 16 N 2.75 0.56 -0.27 4.39 4.13 -0.40 -0.17 115.26 126.25 1bu7 n ASN 16 Ca 0.00 -0.53 0.01 0.00 1.68 0.00 0.00 54.58 55.74 1bu7 n ASN 16 Cb 0.00 -0.03 0.08 0.00 -1.54 0.00 0.00 39.78 38.29 1bu7 n ASN 16 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1bu7 h LEU 17 N 0.61 -0.87 -1.80 3.41 5.85 -1.19 0.20 115.31 121.51 1bu7 h LEU 17 Ca 0.00 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1bu7 h LEU 17 Cb 0.41 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1bu7 h LEU 17 CO 0.00 -0.27 0.43 -0.65 -0.34 0.00 0.00 178.44 177.61 1bu7 h PRO 18 N -0.03 0.00 0.00 5.25 0.11 -1.79 0.54 132.00 136.08 1bu7 h PRO 18 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1bu7 h PRO 18 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1bu7 h PRO 18 CO -0.81 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 176.91 1bu7 h LEU 19 N 0.00 0.00 -2.31 2.35 3.38 -0.94 -2.56 115.31 115.24 1bu7 h LEU 19 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bu7 h LEU 19 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1bu7 h LEU 19 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1bu7 n LEU 20 N -2.81 3.28 -3.51 1.67 4.77 0.18 -4.56 117.00 116.02 1bu7 n LEU 20 Ca 0.02 -1.51 -0.38 0.00 -0.03 0.00 0.00 56.01 54.11 1bu7 n LEU 20 Cb 0.32 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1bu7 n LEU 20 CO 0.26 0.71 2.68 -3.20 -1.33 0.00 0.00 177.39 176.51 1bu7 n ASN 21 N 1.32 4.93 -3.98 -1.43 5.15 -0.97 -4.74 115.26 115.54 1bu7 n ASN 21 Ca 0.17 -2.65 -0.08 0.00 -0.60 0.00 0.00 54.58 51.42 1bu7 n ASN 21 Cb 0.56 -1.41 -0.09 0.00 -0.53 0.00 0.00 39.78 38.30 1bu7 n ASN 21 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1bu7 s THR 22 N 3.40 0.17 -0.56 -0.44 -1.32 -1.26 -5.05 115.64 110.58 1bu7 s THR 22 Ca 0.54 -1.41 0.25 0.00 -1.21 0.00 0.00 61.69 59.86 1bu7 s THR 22 Cb 0.14 -1.27 0.28 0.00 -1.51 0.00 0.00 72.50 70.15 1bu7 s THR 22 CO -0.03 -0.78 1.75 0.44 -2.21 0.00 0.00 174.62 173.80 1bu7 h ASP 23 N 3.21 0.00 -2.13 8.08 3.32 -1.98 -3.35 116.42 123.56 1bu7 h ASP 23 Ca -0.34 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.15 1bu7 h ASP 23 Cb 1.17 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.31 1bu7 h ASP 23 CO 0.58 0.00 -0.84 0.29 -1.72 0.00 0.00 179.24 177.55 1bu7 n LYS 24 N -2.35 1.98 -0.03 3.56 5.02 -1.26 -4.22 118.16 120.85 1bu7 n LYS 24 Ca 0.04 -4.13 -0.02 0.00 -2.02 0.00 0.00 58.31 52.18 1bu7 n LYS 24 Cb 0.35 -1.90 0.24 0.00 -0.02 0.00 0.00 35.03 33.70 1bu7 n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1bu7 h PRO 25 N 3.64 0.60 -0.45 1.97 0.13 -1.85 -1.90 132.00 134.13 1bu7 h PRO 25 Ca 0.13 -0.15 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 1bu7 h PRO 25 Cb 0.73 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1bu7 h PRO 25 CO 0.68 0.65 -0.27 0.28 -0.23 0.00 0.00 178.00 179.11 1bu7 h VAL 26 N 0.56 1.27 -0.31 1.56 2.07 -1.96 -0.59 116.25 118.86 1bu7 h VAL 26 Ca 0.11 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 1bu7 h VAL 26 Cb 0.41 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1bu7 h VAL 26 CO 0.02 0.49 -0.11 1.56 0.02 0.00 0.00 177.57 179.55 1bu7 h GLN 27 N 0.82 0.52 -0.64 1.57 4.20 -1.95 -0.39 115.11 119.23 1bu7 h GLN 27 Ca 0.09 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1bu7 h GLN 27 Cb 0.85 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1bu7 h GLN 27 CO 0.08 0.63 0.07 0.00 -0.67 0.00 0.00 178.83 178.93 1bu7 h ALA 28 N 1.41 0.91 -0.26 3.87 0.00 -1.10 -2.69 119.26 121.41 1bu7 h ALA 28 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1bu7 h ALA 28 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bu7 h ALA 28 CO 0.03 0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 179.75 1bu7 h LEU 29 N 1.00 0.40 -1.04 0.00 3.38 -0.41 -2.26 115.31 116.39 1bu7 h LEU 29 Ca 0.19 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1bu7 h LEU 29 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1bu7 h LEU 29 CO 0.02 0.56 -0.15 0.24 0.09 0.00 0.00 178.44 179.20 1bu7 h MET 30 N 0.39 0.52 -0.23 1.13 2.86 -0.81 0.41 114.93 119.20 1bu7 h MET 30 Ca 0.08 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1bu7 h MET 30 Cb 0.45 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1bu7 h MET 30 CO 0.03 0.66 -0.28 0.87 1.06 0.00 0.00 176.91 179.24 1bu7 h LYS 31 N 0.48 0.60 -0.45 1.72 1.57 -1.21 0.02 116.57 119.30 1bu7 h LYS 31 Ca 0.08 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1bu7 h LYS 31 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1bu7 h LYS 31 CO 0.03 0.94 0.30 0.82 -0.57 0.00 0.00 179.45 180.97 1bu7 h ILE 32 N 0.30 1.12 -0.91 1.86 2.04 -1.19 -0.50 117.51 120.24 1bu7 h ILE 32 Ca 0.03 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.76 1bu7 h ILE 32 Cb 0.85 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1bu7 h ILE 32 CO 0.07 0.11 0.56 0.00 0.00 0.00 0.00 178.15 178.89 1bu7 h ALA 33 N 1.16 1.30 -0.83 1.87 0.00 -0.81 0.28 119.26 122.23 1bu7 h ALA 33 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bu7 h ALA 33 Cb -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1bu7 h ALA 33 CO -0.04 0.23 0.53 -0.44 0.00 0.00 0.00 179.25 179.53 1bu7 h ASP 34 N 0.95 0.97 0.31 0.00 3.32 0.29 0.13 116.42 122.39 1bu7 h ASP 34 Ca 0.42 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 57.19 1bu7 h ASP 34 Cb 0.32 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1bu7 h ASP 34 CO -0.22 0.73 -1.00 -0.33 -1.72 0.00 0.00 179.24 176.70 1bu7 h GLU 35 N 1.13 0.45 0.00 3.56 4.39 0.00 -3.37 114.58 120.74 1bu7 h GLU 35 Ca 0.30 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1bu7 h GLU 35 Cb -0.09 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1bu7 h GLU 35 CO -0.06 1.16 -1.89 1.28 -1.16 0.00 0.00 179.01 178.34 1bu7 n LEU 36 N -3.74 0.00 0.00 1.33 4.77 0.87 -5.10 117.00 115.13 1bu7 n LEU 36 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1bu7 n LEU 36 Cb 0.87 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1bu7 n LEU 36 CO 0.52 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1bu7 n GLY 37 N 1.45 -0.82 0.09 -0.72 0.00 0.44 -4.72 105.19 100.90 1bu7 n GLY 37 Ca -0.05 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.93 1bu7 n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bu7 n GLU 38 N 0.00 0.13 -3.64 1.61 0.28 -1.26 -4.68 120.64 113.08 1bu7 n GLU 38 Ca 0.00 0.35 -0.10 0.00 -0.16 0.00 0.00 57.16 57.25 1bu7 n GLU 38 Cb 0.00 -1.75 -0.07 0.00 1.43 0.00 0.00 31.44 31.05 1bu7 n GLU 38 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1bu7 s ILE 39 N -3.20 -0.00 0.02 3.84 2.07 -1.26 -1.37 121.20 121.30 1bu7 s ILE 39 Ca 0.06 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.19 1bu7 s ILE 39 Cb 0.10 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.73 1bu7 s ILE 39 CO 0.37 0.00 0.22 0.72 -1.91 0.00 0.00 174.94 174.34 1bu7 s PHE 40 N 1.02 -0.02 0.02 3.50 -0.12 -1.02 -4.27 117.98 117.08 1bu7 s PHE 40 Ca -0.05 -0.08 -0.19 0.00 -0.05 0.00 0.00 56.93 56.55 1bu7 s PHE 40 Cb -0.05 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.29 1bu7 s PHE 40 CO -0.10 -0.40 0.56 0.21 -0.05 0.00 0.00 175.22 175.45 1bu7 s LYS 41 N -1.99 4.24 -0.07 1.99 2.20 -0.55 -1.12 119.74 124.43 1bu7 s LYS 41 Ca -0.09 0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1bu7 s LYS 41 Cb -0.04 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1bu7 s LYS 41 CO -0.01 0.50 -0.02 0.12 -0.36 0.00 0.00 175.35 175.58 1bu7 s PHE 42 N -0.60 0.86 0.11 4.03 2.19 -0.47 -4.24 117.98 119.87 1bu7 s PHE 42 Ca 0.29 -0.30 0.10 0.00 0.33 0.00 0.00 56.93 57.35 1bu7 s PHE 42 Cb -0.18 -0.87 -0.04 0.00 -1.31 0.00 0.00 43.02 40.62 1bu7 s PHE 42 CO 0.17 -0.34 -0.22 -1.21 1.83 0.00 0.00 175.22 175.45 1bu7 s GLU 43 N 1.70 1.64 0.25 10.12 2.02 -1.26 -1.69 118.70 131.48 1bu7 s GLU 43 Ca 0.02 -1.23 0.04 0.00 0.02 0.00 0.00 54.97 53.81 1bu7 s GLU 43 Cb -0.13 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 1bu7 s GLU 43 CO -0.05 0.47 -0.00 0.00 0.02 0.00 0.00 175.26 175.71 1bu7 s ALA 44 N -1.07 1.97 -0.06 5.21 0.00 -0.28 -1.27 121.76 126.27 1bu7 s ALA 44 Ca 0.16 -1.83 -0.33 0.00 0.00 0.00 0.00 51.96 49.95 1bu7 s ALA 44 Cb -0.10 0.49 -0.11 0.00 0.00 0.00 0.00 23.12 23.40 1bu7 s ALA 44 CO 0.07 -0.24 1.92 -2.30 0.00 0.00 0.00 175.76 175.22 1bu7 n PRO 45 N -0.48 2.39 -0.98 0.00 -0.02 -1.26 -0.77 135.00 133.87 1bu7 n PRO 45 Ca -0.05 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1bu7 n PRO 45 Cb 0.64 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1bu7 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bu7 n GLY 46 N 4.51 0.83 2.96 -1.23 0.00 -1.26 -5.02 105.19 105.98 1bu7 n GLY 46 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1bu7 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bu7 s ARG 47 N -0.07 0.26 -0.01 1.61 0.52 0.05 -5.15 118.95 116.14 1bu7 s ARG 47 Ca 0.00 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1bu7 s ARG 47 Cb 0.00 0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.57 1bu7 s ARG 47 CO 0.00 -0.04 -0.03 0.08 0.02 0.00 0.00 175.30 175.32 1bu7 s VAL 48 N -1.22 0.33 0.09 3.52 1.01 -1.26 -1.13 120.40 121.74 1bu7 s VAL 48 Ca -0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1bu7 s VAL 48 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1bu7 s VAL 48 CO -0.01 0.13 0.16 0.28 0.00 0.00 0.00 175.10 175.65 1bu7 s THR 49 N 0.29 0.15 -0.17 3.92 -1.32 -0.68 -4.34 115.64 113.49 1bu7 s THR 49 Ca -0.03 -1.31 0.01 0.00 -1.21 0.00 0.00 61.69 59.16 1bu7 s THR 49 Cb -0.06 -1.41 0.01 0.00 -1.51 0.00 0.00 72.50 69.53 1bu7 s THR 49 CO -0.00 -0.69 -0.20 -0.13 -2.21 0.00 0.00 174.62 171.39 1bu7 s ARG 50 N -3.88 3.02 -0.18 7.08 0.52 -0.72 -1.37 118.95 123.42 1bu7 s ARG 50 Ca 0.06 -0.83 -0.22 0.00 -0.52 0.00 0.00 55.73 54.22 1bu7 s ARG 50 Cb 0.05 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 1bu7 s ARG 50 CO -0.10 -0.13 0.67 0.71 0.02 0.00 0.00 175.30 176.47 1bu7 s TYR 51 N 1.10 3.40 -0.17 -0.53 1.51 -0.28 -0.32 117.35 122.06 1bu7 s TYR 51 Ca 0.00 1.01 -0.06 0.00 -1.01 0.00 0.00 57.07 57.01 1bu7 s TYR 51 Cb -0.14 -2.84 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 1bu7 s TYR 51 CO -0.08 -0.16 0.03 -0.51 -1.11 0.00 0.00 175.55 173.71 1bu7 s LEU 52 N 1.86 3.60 0.00 -1.29 1.02 0.08 -2.44 118.68 121.51 1bu7 s LEU 52 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1bu7 s LEU 52 Cb -0.16 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1bu7 s LEU 52 CO 0.11 0.17 0.02 -1.20 0.02 0.00 0.00 176.35 175.47 1bu7 n SER 53 N 3.55 0.03 -4.86 2.29 7.64 -0.47 -1.58 113.62 120.22 1bu7 n SER 53 Ca -0.17 -0.41 -0.32 0.00 1.01 0.00 0.00 58.87 58.97 1bu7 n SER 53 Cb 0.52 0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 64.41 1bu7 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bu7 s SER 54 N -0.74 6.07 0.42 6.43 1.04 -1.25 -2.86 113.70 122.80 1bu7 s SER 54 Ca 0.00 0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.74 1bu7 s SER 54 Cb 0.00 -1.82 0.90 0.00 0.10 0.00 0.00 66.02 65.20 1bu7 s SER 54 CO 0.00 0.23 2.04 -0.61 0.98 0.00 0.00 173.24 175.88 1bu7 h GLN 55 N 3.63 0.51 -0.82 4.02 -0.00 -1.89 0.45 115.11 121.01 1bu7 h GLN 55 Ca -0.48 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.11 1bu7 h GLN 55 Cb 1.18 -0.11 -0.04 0.00 0.00 0.00 0.00 27.48 28.50 1bu7 h GLN 55 CO 0.69 0.34 0.39 -0.09 0.00 0.00 0.00 178.83 180.15 1bu7 h ARG 56 N 0.52 1.17 0.17 1.69 2.43 -1.94 -0.23 114.38 118.20 1bu7 h ARG 56 Ca 0.18 -0.17 -0.36 0.00 -0.81 0.00 0.00 59.98 58.82 1bu7 h ARG 56 Cb 0.07 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1bu7 h ARG 56 CO -0.04 0.90 -1.80 -0.07 -1.51 0.00 0.00 179.97 177.45 1bu7 h LEU 57 N 1.16 0.58 -1.14 3.80 3.38 -1.88 -3.37 115.31 117.85 1bu7 h LEU 57 Ca 0.28 -0.94 -0.08 0.00 0.09 0.00 0.00 57.88 57.24 1bu7 h LEU 57 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bu7 h LEU 57 CO -0.03 1.80 -0.22 0.40 0.09 0.00 0.00 178.44 180.48 1bu7 h ILE 58 N 0.10 1.24 -0.38 1.22 2.04 -0.82 -1.80 117.51 119.11 1bu7 h ILE 58 Ca -0.36 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.39 1bu7 h ILE 58 Cb 2.09 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 1bu7 h ILE 58 CO 0.16 0.34 0.22 0.07 0.00 0.00 0.00 178.15 178.94 1bu7 h LYS 59 N 0.31 0.51 -0.26 2.37 2.10 -1.19 -1.36 116.57 119.05 1bu7 h LYS 59 Ca 0.05 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.50 1bu7 h LYS 59 Cb 0.56 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1bu7 h LYS 59 CO 0.04 0.37 -0.45 0.93 -2.00 0.00 0.00 179.45 178.34 1bu7 h GLU 60 N 0.53 0.75 -0.03 0.07 5.08 -1.54 -2.93 114.58 116.50 1bu7 h GLU 60 Ca 0.14 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1bu7 h GLU 60 Cb -0.00 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1bu7 h GLU 60 CO -0.02 1.10 0.06 0.00 -1.00 0.00 0.00 179.01 179.14 1bu7 h ALA 61 N 0.65 1.36 -0.23 3.43 0.00 -0.47 -1.21 119.26 122.78 1bu7 h ALA 61 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bu7 h ALA 61 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1bu7 h ALA 61 CO 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1bu7 s ASP 63 N -1.59 6.59 0.50 0.00 -1.08 -0.46 -4.88 116.67 115.76 1bu7 s ASP 63 Ca 0.35 0.38 0.33 0.00 -0.52 0.00 0.00 52.55 53.09 1bu7 s ASP 63 Cb 0.20 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.65 1bu7 s ASP 63 CO 0.29 -1.26 1.99 -0.33 0.52 0.00 0.00 175.17 176.39 1bu7 h GLU 64 N 9.25 0.00 0.00 4.34 5.08 -1.87 -0.55 114.58 130.83 1bu7 h GLU 64 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1bu7 h GLU 64 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1bu7 h GLU 64 CO 1.12 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.79 1bu7 h SER 65 N 0.00 0.00 0.00 1.42 4.64 -1.96 -3.32 113.55 114.33 1bu7 h SER 65 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1bu7 h SER 65 Cb 0.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1bu7 h SER 65 CO 0.00 0.00 -1.76 0.54 -0.87 0.00 0.00 176.83 174.74 1bu7 n ARG 66 N -2.92 2.09 -3.91 4.77 1.74 -0.31 -4.90 116.66 113.22 1bu7 n ARG 66 Ca 0.02 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.98 1bu7 n ARG 66 Cb 0.37 -1.29 -0.12 0.00 -1.02 0.00 0.00 32.46 30.40 1bu7 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bu7 s PHE 67 N -2.30 0.09 0.23 -1.55 0.08 -0.62 -1.19 117.98 112.72 1bu7 s PHE 67 Ca -0.05 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.87 1bu7 s PHE 67 Cb 0.04 -0.08 -0.05 0.00 -0.57 0.00 0.00 43.02 42.36 1bu7 s PHE 67 CO 0.46 -0.12 -0.06 0.34 -0.10 0.00 0.00 175.22 175.74 1bu7 s ASP 68 N -0.74 2.23 0.27 1.36 2.15 -0.89 -4.22 116.67 116.84 1bu7 s ASP 68 Ca -0.08 -1.14 -0.31 0.00 0.43 0.00 0.00 52.55 51.45 1bu7 s ASP 68 Cb -0.05 -0.07 -0.12 0.00 -0.30 0.00 0.00 42.92 42.38 1bu7 s ASP 68 CO -0.00 -0.37 1.59 1.17 -0.17 0.00 0.00 175.17 177.38 1bu7 n LYS 69 N -0.43 2.61 -4.20 4.34 4.81 -1.26 -1.30 118.16 122.74 1bu7 n LYS 69 Ca -0.07 0.93 -0.35 0.00 -0.87 0.00 0.00 58.31 57.95 1bu7 n LYS 69 Cb 0.63 -2.71 -0.08 0.00 0.02 0.00 0.00 35.03 32.89 1bu7 n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1bu7 s ASN 70 N 0.56 5.62 -0.63 3.14 2.47 -0.18 -4.69 114.94 121.23 1bu7 s ASN 70 Ca 0.66 0.24 -0.25 0.00 0.42 0.00 0.00 52.86 53.93 1bu7 s ASN 70 Cb -0.52 -1.66 0.04 0.00 -1.45 0.00 0.00 41.25 37.66 1bu7 s ASN 70 CO 0.46 0.38 1.07 -0.76 -3.72 0.00 0.00 177.10 174.53 1bu7 s LEU 71 N -1.02 3.84 1.05 3.21 1.43 -1.26 -4.52 118.68 121.41 1bu7 s LEU 71 Ca 0.15 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1bu7 s LEU 71 Cb -0.12 -2.69 0.22 0.00 0.03 0.00 0.00 46.19 43.63 1bu7 s LEU 71 CO 0.04 -1.48 1.08 -0.94 0.23 0.00 0.00 176.35 175.27 1bu7 s SER 72 N 3.33 1.90 0.27 2.29 1.04 -1.26 -4.66 113.70 116.61 1bu7 s SER 72 Ca 0.31 1.75 -0.01 0.00 0.48 0.00 0.00 55.95 58.48 1bu7 s SER 72 Cb -0.12 -2.38 0.57 0.00 0.10 0.00 0.00 66.02 64.19 1bu7 s SER 72 CO 0.16 -3.66 1.73 -0.61 0.98 0.00 0.00 173.24 171.84 1bu7 h GLN 73 N -2.25 0.48 -0.49 4.02 5.75 -1.99 0.11 115.11 120.75 1bu7 h GLN 73 Ca -0.54 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 57.96 1bu7 h GLN 73 Cb 1.31 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1bu7 h GLN 73 CO 0.48 0.32 0.28 0.00 -2.65 0.00 0.00 178.83 177.26 1bu7 h ALA 74 N 1.60 0.62 -0.24 3.38 0.00 -1.92 -0.78 119.26 121.93 1bu7 h ALA 74 Ca 0.48 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 1bu7 h ALA 74 Cb 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1bu7 h ALA 74 CO -0.43 -0.03 -0.41 -0.07 0.00 0.00 0.00 179.25 178.31 1bu7 h LEU 75 N 0.56 0.59 -0.99 0.00 3.38 -1.56 -0.11 115.31 117.18 1bu7 h LEU 75 Ca 0.20 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bu7 h LEU 75 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1bu7 h LEU 75 CO -0.10 0.94 0.65 0.11 0.09 0.00 0.00 178.44 180.13 1bu7 h LYS 76 N 0.46 1.31 -0.30 1.13 1.57 -0.43 0.10 116.57 120.42 1bu7 h LYS 76 Ca 0.04 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1bu7 h LYS 76 Cb 0.91 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1bu7 h LYS 76 CO 0.08 0.87 -0.28 0.74 -0.57 0.00 0.00 179.45 180.29 1bu7 h PHE 77 N 1.35 0.85 0.00 -1.35 0.04 -0.73 -2.94 116.94 114.17 1bu7 h PHE 77 Ca 0.36 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 1bu7 h PHE 77 Cb -0.14 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 1bu7 h PHE 77 CO -0.00 1.00 -0.24 0.28 -0.60 0.00 0.00 178.31 178.75 1bu7 h VAL 78 N 0.46 1.01 -0.21 -0.55 2.07 -0.66 -2.25 116.25 116.13 1bu7 h VAL 78 Ca 0.05 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1bu7 h VAL 78 Cb 0.85 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1bu7 h VAL 78 CO 0.07 0.23 0.33 -0.09 0.02 0.00 0.00 177.57 178.14 1bu7 h ARG 79 N 0.00 0.00 0.00 1.57 2.43 -0.61 -0.09 114.38 117.69 1bu7 h ARG 79 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1bu7 h ARG 79 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1bu7 h ARG 79 CO 0.03 0.00 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.01 1bu7 h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.50 -0.60 116.42 113.85 1bu7 h ASP 80 Ca 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1bu7 h ASP 80 Cb 0.76 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1bu7 h ASP 80 CO -0.00 0.04 -1.25 2.22 -1.72 0.00 0.00 179.24 178.53 1bu7 n PHE 81 N -3.90 0.00 1.15 4.55 -1.74 -0.44 -4.72 117.46 112.36 1bu7 n PHE 81 Ca -0.03 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.99 1bu7 n PHE 81 Cb 0.13 -0.15 0.25 0.00 1.52 0.00 0.00 39.48 41.23 1bu7 n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1bu7 n ALA 82 N -1.84 3.33 -0.83 1.98 0.00 -0.17 -4.95 120.51 118.03 1bu7 n ALA 82 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1bu7 n ALA 82 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1bu7 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bu7 n GLY 83 N 1.38 2.89 2.30 0.00 0.00 -0.24 -2.11 105.19 109.41 1bu7 n GLY 83 Ca 0.10 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1bu7 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bu7 n ASP 84 N 1.43 7.40 -4.27 1.61 5.75 -1.26 -4.54 116.55 122.67 1bu7 n ASP 84 Ca 0.00 -3.79 -0.29 0.00 -0.01 0.00 0.00 54.79 50.70 1bu7 n ASP 84 Cb 0.00 -0.91 0.22 0.00 -1.03 0.00 0.00 41.12 39.41 1bu7 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bu7 s GLY 85 N -2.02 1.55 0.29 6.12 0.00 -0.90 -4.70 107.32 107.65 1bu7 s GLY 85 Ca 0.63 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1bu7 s GLY 85 CO -0.01 0.21 1.89 1.41 0.00 0.00 0.00 173.10 176.60 1bu7 h LEU 86 N -2.42 0.93 -0.76 0.66 3.38 -1.89 -2.83 115.31 112.39 1bu7 h LEU 86 Ca -0.53 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 1bu7 h LEU 86 Cb 1.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1bu7 h LEU 86 CO 0.47 0.58 -0.49 0.15 0.09 0.00 0.00 178.44 179.24 1bu7 h PHE 87 N 1.05 0.00 -0.06 1.13 3.57 -1.93 -3.31 116.94 117.39 1bu7 h PHE 87 Ca 0.42 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1bu7 h PHE 87 Cb 0.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1bu7 h PHE 87 CO -0.00 0.49 -0.04 0.25 -2.23 0.00 0.00 178.31 176.78 1bu7 n THR 88 N -3.58 2.01 -3.85 4.41 -2.24 -1.09 -5.02 114.28 104.92 1bu7 n THR 88 Ca -0.00 -2.29 -0.32 0.00 -2.27 0.00 0.00 64.05 59.16 1bu7 n THR 88 Cb 0.58 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 1bu7 n THR 88 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bu7 s SER 89 N -2.73 6.41 0.46 3.42 0.01 -1.10 -4.82 113.70 115.35 1bu7 s SER 89 Ca 0.35 0.39 -0.23 0.00 1.31 0.00 0.00 55.95 57.77 1bu7 s SER 89 Cb 0.30 -2.01 -0.08 0.00 0.21 0.00 0.00 66.02 64.44 1bu7 s SER 89 CO 0.03 0.20 1.13 0.26 0.41 0.00 0.00 173.24 175.27 1bu7 s TRP 90 N -1.43 2.94 0.46 2.43 0.52 -1.26 -4.93 118.94 117.66 1bu7 s TRP 90 Ca 0.32 1.56 0.17 0.00 0.02 0.00 0.00 56.10 58.17 1bu7 s TRP 90 Cb -0.13 -3.30 1.13 0.00 -1.15 0.00 0.00 33.47 30.02 1bu7 s TRP 90 CO 0.22 -1.30 1.97 1.15 0.02 0.00 0.00 176.95 179.02 1bu7 h THR 91 N 1.83 0.84 -0.00 2.01 2.02 -1.98 -0.91 112.91 116.71 1bu7 h THR 91 Ca -0.49 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1bu7 h THR 91 Cb 1.24 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1bu7 h THR 91 CO 0.60 0.06 -0.18 0.00 0.37 0.00 0.00 175.52 176.37 1bu7 n HIS 92 N -4.45 0.00 -2.34 3.16 -0.00 -1.26 -4.52 115.22 105.80 1bu7 n HIS 92 Ca 0.11 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.41 1bu7 n HIS 92 Cb 0.46 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 30.23 1bu7 n HIS 92 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1bu7 s GLU 93 N -2.55 4.48 0.28 -1.40 2.02 -0.35 -4.92 118.70 116.26 1bu7 s GLU 93 Ca 0.25 1.92 0.02 0.00 0.02 0.00 0.00 54.97 57.18 1bu7 s GLU 93 Cb 0.20 -3.21 0.58 0.00 0.10 0.00 0.00 34.13 31.80 1bu7 s GLU 93 CO 0.51 -0.09 1.82 -0.22 0.02 0.00 0.00 175.26 177.30 1bu7 h LYS 94 N 4.96 0.92 0.00 1.61 3.64 -1.89 0.06 116.57 125.87 1bu7 h LYS 94 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1bu7 h LYS 94 Cb 1.21 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1bu7 h LYS 94 CO 0.73 0.61 0.00 -0.91 -2.27 0.00 0.00 179.45 177.61 1bu7 h ASN 95 N 0.94 0.00 0.55 4.20 -0.26 -1.92 -2.42 115.58 116.67 1bu7 h ASN 95 Ca 0.51 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.22 1bu7 h ASN 95 Cb 0.57 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1bu7 h ASN 95 CO -0.29 0.00 -0.26 -0.25 -1.06 0.00 0.00 177.43 175.57 1bu7 h TRP 96 N 0.00 -0.68 -0.16 1.19 7.01 -1.23 -2.39 115.95 119.69 1bu7 h TRP 96 Ca 0.00 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.90 1bu7 h TRP 96 Cb 0.59 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 1bu7 h TRP 96 CO 0.00 -0.36 -0.28 -0.22 -2.79 0.00 0.00 178.44 174.79 1bu7 h LYS 97 N -1.07 0.30 0.03 2.65 1.63 -1.54 -0.70 116.57 117.87 1bu7 h LYS 97 Ca -0.08 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1bu7 h LYS 97 Cb 0.63 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1bu7 h LYS 97 CO 0.12 0.56 -0.02 0.87 -3.45 0.00 0.00 179.45 177.54 1bu7 h LYS 98 N 0.27 -0.04 -0.73 1.90 1.57 -1.51 -0.81 116.57 117.22 1bu7 h LYS 98 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1bu7 h LYS 98 Cb 0.65 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1bu7 h LYS 98 CO 0.05 0.03 0.25 0.00 -0.57 0.00 0.00 179.45 179.21 1bu7 h ALA 99 N 0.86 0.95 -0.14 3.86 0.00 -1.25 -1.57 119.26 121.97 1bu7 h ALA 99 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bu7 h ALA 99 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1bu7 h ALA 99 CO 0.01 0.62 0.09 1.25 0.00 0.00 0.00 179.25 181.21 1bu7 h HIS 100 N 1.07 0.18 -0.54 0.00 -0.00 -1.02 0.63 115.15 115.46 1bu7 h HIS 100 Ca 0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.55 1bu7 h HIS 100 Cb 0.28 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1bu7 h HIS 100 CO 0.02 0.12 0.09 -0.91 -0.00 0.00 0.00 177.93 177.25 1bu7 h ASN 101 N 0.18 0.80 -0.24 3.26 2.35 -0.95 -1.40 115.58 119.58 1bu7 h ASN 101 Ca 0.05 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.45 1bu7 h ASN 101 Cb -0.01 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1bu7 h ASN 101 CO -0.01 0.81 -0.60 0.40 -1.65 0.00 0.00 177.43 176.38 1bu7 h ILE 102 N 0.81 1.28 0.00 2.81 2.04 -1.04 -3.35 117.51 120.06 1bu7 h ILE 102 Ca 0.17 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 1bu7 h ILE 102 Cb 0.35 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1bu7 h ILE 102 CO 0.01 0.58 -1.09 -0.07 0.00 0.00 0.00 178.15 177.57 1bu7 h LEU 103 N 0.59 0.00 -0.59 1.44 3.38 -0.74 -3.40 115.31 115.99 1bu7 h LEU 103 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1bu7 h LEU 103 Cb 1.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1bu7 h LEU 103 CO 0.13 0.22 0.22 0.25 0.09 0.00 0.00 178.44 179.35 1bu7 h LEU 104 N 0.00 0.22 -1.67 1.67 5.85 -1.39 -0.66 115.31 119.33 1bu7 h LEU 104 Ca -0.06 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1bu7 h LEU 104 Cb 1.22 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1bu7 h LEU 104 CO 0.02 0.14 -0.19 1.55 -0.34 0.00 0.00 178.44 179.62 1bu7 h PRO 105 N 0.40 0.00 0.00 5.25 0.13 -1.82 -0.98 132.00 134.98 1bu7 h PRO 105 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1bu7 h PRO 105 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1bu7 h PRO 105 CO -0.29 0.19 0.00 0.43 -0.23 0.00 0.00 178.00 178.09 1bu7 n SER 106 N -4.12 0.24 -0.38 1.44 7.64 -0.27 -2.50 113.62 115.67 1bu7 n SER 106 Ca -0.02 0.56 0.04 0.00 1.01 0.00 0.00 58.87 60.45 1bu7 n SER 106 Cb 0.26 -0.61 0.10 0.00 -1.01 0.00 0.00 64.21 62.95 1bu7 n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1bu7 n PHE 107 N -1.76 0.28 -1.42 1.43 3.72 -0.39 -4.85 117.46 114.47 1bu7 n PHE 107 Ca 0.03 -0.53 -0.30 0.00 -0.05 0.00 0.00 57.45 56.61 1bu7 n PHE 107 Cb 0.21 -0.05 0.10 0.00 -0.94 0.00 0.00 39.48 38.80 1bu7 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1bu7 s SER 108 N -1.08 4.26 0.28 4.37 1.04 -1.04 -4.55 113.70 116.98 1bu7 s SER 108 Ca 0.15 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.01 1bu7 s SER 108 Cb 0.08 -2.16 0.47 0.00 0.10 0.00 0.00 66.02 64.51 1bu7 s SER 108 CO 0.09 -2.14 1.89 -0.61 0.98 0.00 0.00 173.24 173.45 1bu7 h GLN 109 N -1.20 1.07 -0.83 4.02 5.75 -1.94 -1.71 115.11 120.28 1bu7 h GLN 109 Ca -0.47 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.03 1bu7 h GLN 109 Cb 1.26 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 29.52 1bu7 h GLN 109 CO 0.57 0.71 0.54 1.96 -2.65 0.00 0.00 178.83 179.96 1bu7 h GLN 110 N 1.10 0.87 0.00 1.69 1.08 -1.92 -1.38 115.11 116.56 1bu7 h GLN 110 Ca 0.43 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.55 1bu7 h GLN 110 Cb 0.23 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1bu7 h GLN 110 CO -0.18 0.57 -0.13 0.00 -0.95 0.00 0.00 178.83 178.15 1bu7 h ALA 111 N 1.56 1.38 0.00 3.87 0.00 -1.55 -2.41 119.26 122.11 1bu7 h ALA 111 Ca 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1bu7 h ALA 111 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bu7 h ALA 111 CO -0.13 0.16 -0.04 0.52 0.00 0.00 0.00 179.25 179.75 1bu7 h MET 112 N 0.00 0.00 -0.80 0.00 2.86 -1.06 -1.24 114.93 114.69 1bu7 h MET 112 Ca -0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1bu7 h MET 112 Cb 0.31 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1bu7 h MET 112 CO 0.02 0.04 0.52 0.87 1.06 0.00 0.00 176.91 179.42 1bu7 h LYS 113 N 0.00 0.77 -0.05 1.72 1.57 -1.55 -1.10 116.57 117.93 1bu7 h LYS 113 Ca -0.00 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1bu7 h LYS 113 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1bu7 h LYS 113 CO 0.01 0.51 -0.85 0.78 -0.57 0.00 0.00 179.45 179.32 1bu7 h GLY 114 N 0.79 0.54 1.30 3.86 0.00 -1.41 -3.26 103.07 104.90 1bu7 h GLY 114 Ca 0.36 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1bu7 h GLY 114 CO -0.13 0.76 -0.44 -1.72 0.00 0.00 0.00 176.54 175.01 1bu7 n TYR 115 N -3.81 0.33 -0.12 5.60 4.01 -0.91 -4.43 117.16 117.83 1bu7 n TYR 115 Ca -0.06 0.10 -0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1bu7 n TYR 115 Cb 0.78 -0.53 0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1bu7 n TYR 115 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1bu7 h HIS 116 N 0.00 0.11 -0.89 -0.72 2.76 -1.26 -1.65 115.15 113.51 1bu7 h HIS 116 Ca 0.00 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1bu7 h HIS 116 Cb 0.63 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.55 1bu7 h HIS 116 CO 0.00 -0.00 0.58 0.00 -1.30 0.00 0.00 177.93 177.21 1bu7 h ALA 117 N 1.32 1.16 -0.16 5.26 0.00 -1.81 0.17 119.26 125.21 1bu7 h ALA 117 Ca 0.20 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1bu7 h ALA 117 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1bu7 h ALA 117 CO -0.27 0.47 -0.37 0.52 0.00 0.00 0.00 179.25 179.60 1bu7 h MET 118 N 1.16 0.34 -0.44 0.00 2.07 -1.67 -1.24 114.93 115.14 1bu7 h MET 118 Ca 0.35 -0.15 -0.14 0.00 -2.07 0.00 0.00 59.70 57.69 1bu7 h MET 118 Cb -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.66 1bu7 h MET 118 CO -0.10 0.67 -0.26 0.52 1.07 0.00 0.00 176.91 178.81 1bu7 h MET 119 N 0.29 0.94 -0.71 1.72 2.86 -0.24 -2.78 114.93 117.02 1bu7 h MET 119 Ca 0.03 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1bu7 h MET 119 Cb 0.79 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1bu7 h MET 119 CO 0.06 1.09 0.34 0.28 1.06 0.00 0.00 176.91 179.74 1bu7 h VAL 120 N 0.80 1.23 -0.16 -2.22 2.07 -0.52 -1.07 116.25 116.38 1bu7 h VAL 120 Ca 0.10 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1bu7 h VAL 120 Cb 0.84 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1bu7 h VAL 120 CO 0.07 0.27 -0.09 -0.78 0.02 0.00 0.00 177.57 177.06 1bu7 h ASP 121 N 1.00 -0.29 0.38 0.57 1.82 -0.95 -0.54 116.42 118.41 1bu7 h ASP 121 Ca 0.25 0.07 -0.16 0.00 -0.39 0.00 0.00 57.03 56.79 1bu7 h ASP 121 Cb 0.10 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1bu7 h ASP 121 CO -0.03 -0.12 -0.69 0.40 -1.61 0.00 0.00 179.24 177.19 1bu7 h ILE 122 N -0.08 1.41 -0.72 2.25 1.08 -1.40 -2.91 117.51 117.15 1bu7 h ILE 122 Ca 0.09 -2.15 -0.04 0.00 -0.39 0.00 0.00 64.86 62.37 1bu7 h ILE 122 Cb 0.22 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 1bu7 h ILE 122 CO -0.21 0.64 0.28 0.00 -0.69 0.00 0.00 178.15 178.17 1bu7 h ALA 123 N 1.09 0.94 -0.85 1.87 0.00 -0.65 -1.92 119.26 119.73 1bu7 h ALA 123 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1bu7 h ALA 123 Cb 1.23 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1bu7 h ALA 123 CO 0.11 0.56 0.56 0.28 0.00 0.00 0.00 179.25 180.76 1bu7 h VAL 124 N 1.03 1.22 -0.83 0.00 2.07 -1.10 -1.30 116.25 117.34 1bu7 h VAL 124 Ca 0.24 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1bu7 h VAL 124 Cb 0.22 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1bu7 h VAL 124 CO -0.02 0.22 0.53 1.56 0.02 0.00 0.00 177.57 179.88 1bu7 h GLN 125 N 1.16 1.11 0.33 1.57 4.20 -1.16 0.17 115.11 122.49 1bu7 h GLN 125 Ca 0.31 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 1bu7 h GLN 125 Cb -0.12 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.42 1bu7 h GLN 125 CO -0.07 0.75 -0.16 1.25 -0.67 0.00 0.00 178.83 179.93 1bu7 h LEU 126 N 1.14 -0.38 -0.56 1.46 7.12 -0.81 -1.22 115.31 122.06 1bu7 h LEU 126 Ca 0.30 -0.10 0.04 0.00 0.13 0.00 0.00 57.88 58.25 1bu7 h LEU 126 Cb -0.10 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.08 1bu7 h LEU 126 CO -0.06 -0.12 0.30 0.58 -0.13 0.00 0.00 178.44 179.01 1bu7 h VAL 127 N -0.64 0.98 -0.22 1.05 2.07 -0.97 -1.81 116.25 116.71 1bu7 h VAL 127 Ca -0.05 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1bu7 h VAL 127 Cb 0.46 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1bu7 h VAL 127 CO 0.08 0.11 -0.19 1.56 0.02 0.00 0.00 177.57 179.14 1bu7 h GLN 128 N 0.58 0.38 -0.36 1.57 1.08 -0.57 0.82 115.11 118.62 1bu7 h GLN 128 Ca 0.24 -0.12 0.06 0.00 -1.45 0.00 0.00 58.65 57.39 1bu7 h GLN 128 Cb 0.12 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 1bu7 h GLN 128 CO -0.15 0.56 0.01 -0.22 -0.95 0.00 0.00 178.83 178.08 1bu7 h LYS 129 N 0.35 0.10 -0.19 1.46 3.64 -0.43 -2.01 116.57 119.50 1bu7 h LYS 129 Ca 0.06 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1bu7 h LYS 129 Cb 0.54 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1bu7 h LYS 129 CO 0.04 0.07 -0.54 -1.49 -2.27 0.00 0.00 179.45 175.25 1bu7 h TRP 130 N 0.11 0.71 -0.18 1.91 4.06 -0.65 -2.18 115.95 119.74 1bu7 h TRP 130 Ca 0.18 -0.25 0.05 0.00 2.06 0.00 0.00 58.89 60.93 1bu7 h TRP 130 Cb 0.24 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1bu7 h TRP 130 CO -0.24 0.98 0.13 0.93 -3.56 0.00 0.00 178.44 176.68 1bu7 h GLU 131 N 0.44 0.00 -0.36 0.49 4.39 -0.60 -2.79 114.58 116.15 1bu7 h GLU 131 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1bu7 h GLU 131 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1bu7 h GLU 131 CO 0.10 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.49 1bu7 n ARG 132 N -4.44 2.29 -2.48 2.33 1.74 -0.78 -4.95 116.66 110.38 1bu7 n ARG 132 Ca 0.01 -1.95 -0.35 0.00 -0.77 0.00 0.00 57.85 54.79 1bu7 n ARG 132 Cb 0.26 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1bu7 n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bu7 s LEU 133 N -1.43 3.90 0.44 0.55 1.43 -1.06 -5.03 118.68 117.49 1bu7 s LEU 133 Ca 0.37 2.02 -0.18 0.00 -1.03 0.00 0.00 54.13 55.31 1bu7 s LEU 133 Cb 0.21 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.87 1bu7 s LEU 133 CO 0.29 -0.81 0.92 0.20 0.23 0.00 0.00 176.35 177.19 1bu7 s ASN 134 N -1.82 6.78 0.50 2.29 0.01 -1.26 -4.96 114.94 116.47 1bu7 s ASN 134 Ca 0.66 1.56 0.26 0.00 -0.71 0.00 0.00 52.86 54.63 1bu7 s ASN 134 Cb -0.20 -2.49 1.35 0.00 0.41 0.00 0.00 41.25 40.33 1bu7 s ASN 134 CO 0.23 -0.42 1.91 0.00 -1.51 0.00 0.00 177.10 177.31 1bu7 h ALA 135 N 1.55 2.59 0.00 0.60 0.00 -1.98 0.27 119.26 122.29 1bu7 h ALA 135 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bu7 h ALA 135 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bu7 h ALA 135 CO 0.62 -0.83 0.00 -0.40 0.00 0.00 0.00 179.25 178.64 1bu7 n ASP 136 N -4.36 0.00 -5.01 0.00 5.75 -1.26 -4.92 116.55 106.75 1bu7 n ASP 136 Ca 0.16 -1.27 -0.21 0.00 -0.01 0.00 0.00 54.79 53.46 1bu7 n ASP 136 Cb 0.80 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.94 1bu7 n ASP 136 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1bu7 s GLU 137 N -2.00 2.26 0.19 0.11 2.02 0.08 -5.13 118.70 116.23 1bu7 s GLU 137 Ca 0.35 -1.77 -0.08 0.00 0.02 0.00 0.00 54.97 53.50 1bu7 s GLU 137 Cb 0.16 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 1bu7 s GLU 137 CO 0.27 -0.85 0.29 -3.38 0.02 0.00 0.00 175.26 171.60 1bu7 s HIS 138 N -2.72 0.60 -0.16 1.61 -3.43 -1.26 -4.86 115.29 105.08 1bu7 s HIS 138 Ca 0.55 -0.93 -0.08 0.00 -0.80 0.00 0.00 55.06 53.81 1bu7 s HIS 138 Cb -0.05 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.93 1bu7 s HIS 138 CO 0.35 -0.76 0.11 0.42 -2.00 0.00 0.00 174.74 172.85 1bu7 s ILE 139 N -4.03 5.22 -0.60 -5.38 1.01 0.13 -4.98 121.20 112.56 1bu7 s ILE 139 Ca 0.24 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 1bu7 s ILE 139 Cb 0.03 -3.32 0.09 0.00 0.01 0.00 0.00 42.46 39.28 1bu7 s ILE 139 CO 0.05 0.53 0.75 -1.61 0.00 0.00 0.00 174.94 174.66 1bu7 s GLU 140 N -0.28 3.06 -0.00 2.79 2.02 -1.26 -2.36 118.70 122.67 1bu7 s GLU 140 Ca 0.10 -1.19 -0.21 0.00 0.02 0.00 0.00 54.97 53.69 1bu7 s GLU 140 Cb -0.12 -4.24 -0.12 0.00 0.10 0.00 0.00 34.13 29.75 1bu7 s GLU 140 CO 0.01 -1.57 0.91 0.28 0.02 0.00 0.00 175.26 174.92 1bu7 h VAL 141 N 5.93 0.00 -0.53 2.63 2.07 -1.70 -1.50 116.25 123.16 1bu7 h VAL 141 Ca -0.29 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1bu7 h VAL 141 Cb 1.08 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1bu7 h VAL 141 CO 1.11 0.00 0.35 1.55 0.02 0.00 0.00 177.57 180.60 1bu7 h PRO 142 N -1.14 0.64 -0.36 1.57 0.13 -1.86 -0.48 132.00 130.50 1bu7 h PRO 142 Ca -0.08 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1bu7 h PRO 142 Cb 0.59 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1bu7 h PRO 142 CO 0.13 0.43 0.22 0.93 -0.23 0.00 0.00 178.00 179.47 1bu7 h GLU 143 N 0.66 0.49 -0.03 0.86 3.07 -1.89 -1.32 114.58 116.43 1bu7 h GLU 143 Ca 0.20 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 1bu7 h GLU 143 Cb -0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1bu7 h GLU 143 CO -0.05 0.38 -0.55 -0.44 -1.40 0.00 0.00 179.01 176.95 1bu7 h ASP 144 N 0.47 0.09 0.43 1.42 3.32 -0.77 -1.63 116.42 119.74 1bu7 h ASP 144 Ca 0.13 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1bu7 h ASP 144 Cb 0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1bu7 h ASP 144 CO -0.02 0.62 -0.60 0.24 -1.72 0.00 0.00 179.24 177.76 1bu7 h MET 145 N 0.06 0.17 -0.21 3.56 2.86 -0.77 -2.54 114.93 118.05 1bu7 h MET 145 Ca -0.00 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.34 1bu7 h MET 145 Cb 0.99 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1bu7 h MET 145 CO 0.08 0.72 -0.57 1.15 1.06 0.00 0.00 176.91 179.34 1bu7 h THR 146 N 0.13 1.30 -0.83 2.22 2.02 -1.07 -0.26 112.91 116.41 1bu7 h THR 146 Ca -0.01 -1.80 0.03 0.00 0.77 0.00 0.00 66.41 65.40 1bu7 h THR 146 Cb 1.09 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.20 1bu7 h THR 146 CO 0.09 0.57 0.53 0.03 0.37 0.00 0.00 175.52 177.11 1bu7 h ARG 147 N 0.51 1.00 0.12 6.66 3.08 -1.13 -1.80 114.38 122.82 1bu7 h ARG 147 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1bu7 h ARG 147 Cb 1.15 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1bu7 h ARG 147 CO 0.12 0.66 -0.06 1.25 -1.07 0.00 0.00 179.97 180.87 1bu7 h LEU 148 N 1.03 -0.13 -0.25 3.04 7.12 -1.24 -1.80 115.31 123.07 1bu7 h LEU 148 Ca 0.33 -0.23 -0.15 0.00 0.13 0.00 0.00 57.88 57.97 1bu7 h LEU 148 Cb 0.02 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1bu7 h LEU 148 CO -0.12 0.16 -0.41 0.71 -0.13 0.00 0.00 178.44 178.65 1bu7 h THR 149 N -0.44 1.30 -0.12 1.05 1.35 -0.92 -1.25 112.91 113.88 1bu7 h THR 149 Ca -0.02 -1.61 0.04 0.00 -0.55 0.00 0.00 66.41 64.27 1bu7 h THR 149 Cb 0.36 1.72 -0.04 0.00 -1.73 0.00 0.00 68.15 68.45 1bu7 h THR 149 CO 0.03 0.51 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.63 1bu7 h LEU 150 N 0.45 -0.34 -1.40 3.87 3.38 -1.42 -1.27 115.31 118.58 1bu7 h LEU 150 Ca 0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1bu7 h LEU 150 Cb 1.01 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1bu7 h LEU 150 CO 0.09 -0.15 0.16 0.44 0.09 0.00 0.00 178.44 179.08 1bu7 h ASP 151 N -0.13 0.51 -0.26 -0.43 5.19 -1.18 -1.35 116.42 118.77 1bu7 h ASP 151 Ca 0.08 -0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.34 1bu7 h ASP 151 Cb 0.25 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1bu7 h ASP 151 CO -0.20 0.47 -0.22 0.74 -3.12 0.00 0.00 179.24 176.90 1bu7 h THR 152 N 0.57 1.31 -0.36 0.35 2.02 -0.85 -2.05 112.91 113.89 1bu7 h THR 152 Ca 0.14 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 1bu7 h THR 152 Cb 0.11 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1bu7 h THR 152 CO -0.01 0.43 -0.21 0.40 0.37 0.00 0.00 175.52 176.49 1bu7 h ILE 153 N 0.34 1.27 -0.53 3.11 2.04 -0.99 -0.19 117.51 122.57 1bu7 h ILE 153 Ca 0.05 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1bu7 h ILE 153 Cb 0.77 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1bu7 h ILE 153 CO 0.06 0.43 0.28 1.23 0.00 0.00 0.00 178.15 180.15 1bu7 h GLY 154 N 0.98 0.79 0.46 5.37 0.00 -1.11 0.76 103.07 110.32 1bu7 h GLY 154 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1bu7 h GLY 154 CO 0.05 0.35 -0.00 -2.00 0.00 0.00 0.00 176.54 174.94 1bu7 h LEU 155 N 0.70 0.01 -0.37 3.11 5.85 -1.17 -0.57 115.31 122.87 1bu7 h LEU 155 Ca 0.18 -0.55 -0.16 0.00 0.84 0.00 0.00 57.88 58.20 1bu7 h LEU 155 Cb 0.06 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1bu7 h LEU 155 CO -0.03 0.55 -0.76 0.00 -0.34 0.00 0.00 178.44 177.86 1bu7 h GLY 157 N 2.53 -0.34 -2.29 0.00 0.00 0.49 -2.05 103.07 101.42 1bu7 h GLY 157 Ca -0.01 0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1bu7 h GLY 157 CO 0.10 -0.12 -0.57 1.97 0.00 0.00 0.00 176.54 177.92 1bu7 n PHE 158 N -5.13 0.00 -3.78 5.60 -1.74 -0.28 -1.85 117.46 110.28 1bu7 n PHE 158 Ca -0.09 -0.45 -0.29 0.00 -0.56 0.00 0.00 57.45 56.05 1bu7 n PHE 158 Cb 0.22 0.22 0.02 0.00 1.52 0.00 0.00 39.48 41.46 1bu7 n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1bu7 n ASN 159 N 0.19 -4.75 -4.41 5.98 4.05 -0.72 -4.95 115.26 110.66 1bu7 n ASN 159 Ca -0.12 -0.69 -0.33 0.00 0.45 0.00 0.00 54.58 53.88 1bu7 n ASN 159 Cb 0.86 -3.81 -0.14 0.00 1.23 0.00 0.00 39.78 37.92 1bu7 n ASN 159 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1bu7 s TYR 160 N -3.23 2.74 -0.36 1.20 5.04 -0.83 -4.92 117.35 116.98 1bu7 s TYR 160 Ca 0.61 -0.45 -0.12 0.00 -2.44 0.00 0.00 57.07 54.67 1bu7 s TYR 160 Cb -0.31 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.27 1bu7 s TYR 160 CO 0.75 -0.05 0.23 1.03 -1.34 0.00 0.00 175.55 176.17 1bu7 s ARG 161 N -0.13 3.15 0.49 4.97 0.52 -1.26 -2.73 118.95 123.97 1bu7 s ARG 161 Ca -0.01 -0.87 0.28 0.00 -0.52 0.00 0.00 55.73 54.61 1bu7 s ARG 161 Cb -0.14 -3.78 1.12 0.00 0.52 0.00 0.00 34.95 32.67 1bu7 s ARG 161 CO 0.03 -0.58 1.90 0.74 0.02 0.00 0.00 175.30 177.41 1bu7 h PHE 162 N 8.49 0.00 -6.36 -0.53 0.04 -1.92 -3.47 116.94 113.18 1bu7 h PHE 162 Ca -0.29 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.01 1bu7 h PHE 162 Cb 1.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1bu7 h PHE 162 CO 0.61 0.11 -0.87 0.09 -0.60 0.00 0.00 178.31 177.65 1bu7 n ASN 163 N -3.25 -0.82 0.25 2.17 3.02 -1.26 -4.84 115.26 110.52 1bu7 n ASN 163 Ca 0.00 -0.95 0.17 0.00 -0.03 0.00 0.00 54.58 53.77 1bu7 n ASN 163 Cb 0.37 -3.37 0.72 0.00 -0.61 0.00 0.00 39.78 36.89 1bu7 n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1bu7 h SER 164 N -1.85 0.00 0.09 6.41 0.02 -1.89 -1.99 113.55 114.34 1bu7 h SER 164 Ca -0.63 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1bu7 h SER 164 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1bu7 h SER 164 CO 0.60 0.00 -0.06 0.49 -1.14 0.00 0.00 176.83 176.72 1bu7 n PHE 165 N -2.88 0.00 0.74 3.45 3.72 -1.26 -2.95 117.46 118.28 1bu7 n PHE 165 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1bu7 n PHE 165 Cb 0.25 -0.05 0.21 0.00 -0.94 0.00 0.00 39.48 38.95 1bu7 n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1bu7 n TYR 166 N -0.33 0.25 -3.54 1.38 4.01 -0.75 -5.00 117.16 113.18 1bu7 n TYR 166 Ca 0.18 -0.12 -0.17 0.00 -0.16 0.00 0.00 57.90 57.63 1bu7 n TYR 166 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1bu7 n TYR 166 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1bu7 s ARG 167 N -1.75 1.01 -0.12 -0.72 1.70 -1.15 -5.01 118.95 112.90 1bu7 s ARG 167 Ca 0.34 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 56.01 1bu7 s ARG 167 Cb 0.21 0.48 -0.24 0.00 -0.57 0.00 0.00 34.95 34.83 1bu7 s ARG 167 CO 0.31 -0.28 0.36 -0.40 -1.08 0.00 0.00 175.30 174.20 1bu7 n ASP 168 N 1.26 1.68 -4.62 -2.89 5.68 -1.26 -4.80 116.55 111.61 1bu7 n ASP 168 Ca -0.18 0.21 -0.43 0.00 -0.50 0.00 0.00 54.79 53.89 1bu7 n ASP 168 Cb 0.57 -0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 1bu7 n ASP 168 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1bu7 s GLN 169 N -2.56 3.75 0.62 0.11 -0.21 -1.26 -4.96 119.66 115.15 1bu7 s GLN 169 Ca -0.19 1.18 -0.19 0.00 0.02 0.00 0.00 55.36 56.18 1bu7 s GLN 169 Cb 0.07 -3.97 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 1bu7 s GLN 169 CO 0.77 -1.34 1.17 -0.35 -2.12 0.00 0.00 175.29 173.42 1bu7 n PRO 170 N 7.70 1.09 -1.61 2.91 -0.04 -1.26 -4.92 135.00 138.87 1bu7 n PRO 170 Ca 0.16 0.42 -0.46 0.00 -0.04 0.00 0.00 63.50 63.59 1bu7 n PRO 170 Cb 0.47 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 1bu7 n PRO 170 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1bu7 n HIS 171 N -1.76 1.48 -0.10 0.54 -0.00 -1.26 -4.66 115.22 109.47 1bu7 n HIS 171 Ca 0.15 0.65 0.19 0.00 0.46 0.00 0.00 57.72 59.16 1bu7 n HIS 171 Cb 0.47 -2.30 0.60 0.00 -0.12 0.00 0.00 29.99 28.64 1bu7 n HIS 171 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1bu7 h PRO 172 N 2.74 0.20 0.07 1.57 0.11 -1.99 0.92 132.00 135.62 1bu7 h PRO 172 Ca -0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1bu7 h PRO 172 Cb 1.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1bu7 h PRO 172 CO 0.66 0.13 -0.03 0.35 -0.21 0.00 0.00 178.00 178.90 1bu7 h PHE 173 N 0.21 -0.09 -0.56 0.65 3.57 -1.90 -2.03 116.94 116.79 1bu7 h PHE 173 Ca 0.33 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1bu7 h PHE 173 Cb 1.00 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1bu7 h PHE 173 CO -0.00 -0.02 0.22 0.82 -2.23 0.00 0.00 178.31 177.11 1bu7 h ILE 174 N -0.13 1.20 0.14 1.41 2.04 0.38 0.13 117.51 122.68 1bu7 h ILE 174 Ca -0.01 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1bu7 h ILE 174 Cb 0.11 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1bu7 h ILE 174 CO 0.02 0.25 -0.14 0.74 0.00 0.00 0.00 178.15 179.01 1bu7 h THR 175 N 0.81 0.68 -0.53 -0.27 2.02 -0.48 -1.54 112.91 113.59 1bu7 h THR 175 Ca 0.19 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 1bu7 h THR 175 Cb 0.16 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1bu7 h THR 175 CO -0.02 0.00 0.13 0.28 0.37 0.00 0.00 175.52 176.28 1bu7 h SER 176 N -0.31 0.76 0.19 4.18 0.02 -1.05 -2.33 113.55 115.01 1bu7 h SER 176 Ca 0.01 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1bu7 h SER 176 Cb 0.30 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1bu7 h SER 176 CO -0.04 0.75 -0.09 -0.03 -1.14 0.00 0.00 176.83 176.27 1bu7 h MET 177 N 0.79 -0.25 -0.93 3.45 -1.53 -0.68 0.07 114.93 115.84 1bu7 h MET 177 Ca 0.17 0.02 0.14 0.00 -3.44 0.00 0.00 59.70 56.59 1bu7 h MET 177 Cb 0.29 0.06 -0.08 0.00 -0.55 0.00 0.00 31.60 31.32 1bu7 h MET 177 CO -0.00 0.02 0.59 0.28 0.14 0.00 0.00 176.91 177.95 1bu7 h VAL 178 N -0.51 0.85 -0.08 -5.77 2.07 -1.28 -1.21 116.25 110.32 1bu7 h VAL 178 Ca -0.03 -0.27 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 1bu7 h VAL 178 Cb 0.39 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1bu7 h VAL 178 CO 0.04 0.14 -0.71 -0.09 0.02 0.00 0.00 177.57 176.97 1bu7 h ARG 179 N 0.79 0.41 -0.39 1.57 2.43 -1.22 -1.52 114.38 116.44 1bu7 h ARG 179 Ca 0.47 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1bu7 h ARG 179 Cb 0.66 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1bu7 h ARG 179 CO -0.23 0.96 -0.23 0.00 -1.51 0.00 0.00 179.97 178.95 1bu7 h ALA 180 N 0.95 0.86 -0.39 2.80 0.00 -0.13 -2.32 119.26 121.03 1bu7 h ALA 180 Ca -0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1bu7 h ALA 180 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1bu7 h ALA 180 CO 0.12 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.97 1bu7 h LEU 181 N 0.68 0.65 -0.41 0.00 3.38 -1.15 -1.37 115.31 117.09 1bu7 h LEU 181 Ca 0.09 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1bu7 h LEU 181 Cb 0.75 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1bu7 h LEU 181 CO 0.06 0.77 0.23 0.44 0.09 0.00 0.00 178.44 180.04 1bu7 h ASP 182 N 0.50 0.37 -0.87 -0.43 3.32 -1.15 -1.75 116.42 116.42 1bu7 h ASP 182 Ca 0.11 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1bu7 h ASP 182 Cb 0.42 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1bu7 h ASP 182 CO 0.01 0.27 0.50 -0.08 -1.72 0.00 0.00 179.24 178.23 1bu7 h GLU 183 N 0.47 1.19 -0.58 3.56 4.57 -1.32 0.12 114.58 122.59 1bu7 h GLU 183 Ca 0.16 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1bu7 h GLU 183 Cb 0.02 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 1bu7 h GLU 183 CO -0.08 0.85 0.12 0.00 -1.18 0.00 0.00 179.01 178.71 1bu7 h ALA 184 N 1.27 1.10 0.02 2.92 0.00 -0.72 -1.06 119.26 122.79 1bu7 h ALA 184 Ca 0.31 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1bu7 h ALA 184 Cb -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1bu7 h ALA 184 CO -0.05 0.59 -1.02 0.52 0.00 0.00 0.00 179.25 179.29 1bu7 h MET 185 N 0.88 0.53 -0.40 0.00 2.86 -1.04 -3.17 114.93 114.59 1bu7 h MET 185 Ca 0.19 -0.60 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1bu7 h MET 185 Cb 0.35 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1bu7 h MET 185 CO 0.00 1.22 0.19 -0.91 1.06 0.00 0.00 176.91 178.47 1bu7 h ASN 186 N 0.29 0.49 -0.14 1.22 2.35 -0.46 -0.96 115.58 118.38 1bu7 h ASN 186 Ca -0.11 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1bu7 h ASN 186 Cb 1.67 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 1bu7 h ASN 186 CO 0.19 0.43 0.12 0.11 -1.65 0.00 0.00 177.43 176.63 1bu7 h LYS 187 N 0.56 0.00 0.00 0.81 1.57 -1.17 -2.49 116.57 115.85 1bu7 h LYS 187 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bu7 h LYS 187 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1bu7 h LYS 187 CO -0.02 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.79 1bu7 h LEU 188 N 0.00 0.00 -0.72 2.94 3.38 -1.25 -2.93 115.31 116.73 1bu7 h LEU 188 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bu7 h LEU 188 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1bu7 h LEU 188 CO -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 178.44 177.94 1bu7 n GLN 189 N -2.79 1.03 -2.69 1.13 1.13 -0.94 -4.95 117.38 109.31 1bu7 n GLN 189 Ca -0.00 -0.71 -0.43 0.00 -1.94 0.00 0.00 57.00 53.92 1bu7 n GLN 189 Cb 0.20 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 1bu7 n GLN 189 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1bu7 s ARG 190 N -2.52 4.30 -0.05 -1.09 0.52 -1.11 -4.93 118.95 114.07 1bu7 s ARG 190 Ca 0.15 1.33 -0.25 0.00 -0.52 0.00 0.00 55.73 56.43 1bu7 s ARG 190 Cb 0.17 -3.61 -0.20 0.00 0.52 0.00 0.00 34.95 31.82 1bu7 s ARG 190 CO 0.62 -0.54 1.09 0.00 0.02 0.00 0.00 175.30 176.50 1bu7 h ALA 191 N 7.37 -0.06 -2.83 2.13 0.00 -1.92 -3.38 119.26 120.58 1bu7 h ALA 191 Ca -0.23 -0.28 -0.73 0.00 0.00 0.00 0.00 54.91 53.68 1bu7 h ALA 191 Cb 1.09 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.56 1bu7 h ALA 191 CO 0.94 -0.23 -0.01 0.54 0.00 0.00 0.00 179.25 180.49 1bu7 s ASN 192 N -5.72 6.21 0.30 0.00 2.20 -1.26 -4.90 114.94 111.77 1bu7 s ASN 192 Ca -0.16 -3.57 0.23 0.00 -0.94 0.00 0.00 52.86 48.43 1bu7 s ASN 192 Cb 0.01 -1.97 1.11 0.00 -2.00 0.00 0.00 41.25 38.39 1bu7 s ASN 192 CO 0.63 -0.24 1.71 -0.81 -2.94 0.00 0.00 177.10 175.45 1bu7 n PRO 193 N 2.59 0.18 -0.06 3.55 -0.04 -1.26 -2.75 135.00 137.20 1bu7 n PRO 193 Ca 0.20 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.29 1bu7 n PRO 193 Cb 0.38 -1.94 0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1bu7 n PRO 193 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bu7 n ASP 194 N -2.29 2.73 -4.64 3.54 8.00 -1.26 -4.84 116.55 117.80 1bu7 n ASP 194 Ca 0.00 -1.81 -0.45 0.00 0.71 0.00 0.00 54.79 53.25 1bu7 n ASP 194 Cb 0.14 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1bu7 n ASP 194 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bu7 n ASP 195 N 1.05 2.11 -0.22 -2.24 -0.08 -1.11 -4.83 116.55 111.24 1bu7 n ASP 195 Ca 0.12 1.17 0.30 0.00 -1.51 0.00 0.00 54.79 54.88 1bu7 n ASP 195 Cb 0.47 -1.37 0.73 0.00 2.34 0.00 0.00 41.12 43.29 1bu7 n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bu7 h PRO 196 N 2.90 0.00 -0.61 -0.67 0.11 -1.93 -2.01 132.00 129.78 1bu7 h PRO 196 Ca -0.43 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.80 1bu7 h PRO 196 Cb 1.31 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 1bu7 h PRO 196 CO 0.66 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.26 1bu7 h ALA 197 N 1.49 0.32 0.00 -0.75 0.00 -1.97 0.16 119.26 118.52 1bu7 h ALA 197 Ca 0.46 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1bu7 h ALA 197 Cb 1.88 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1bu7 h ALA 197 CO -0.00 -0.48 0.00 0.66 0.00 0.00 0.00 179.25 179.43 1bu7 n TYR 198 N -5.43 0.00 -0.07 0.00 4.01 -0.76 -4.03 117.16 110.88 1bu7 n TYR 198 Ca 0.07 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.65 1bu7 n TYR 198 Cb 0.33 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 1bu7 n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1bu7 h ASP 199 N 0.09 0.94 0.94 7.72 3.32 -0.82 -1.61 116.42 127.00 1bu7 h ASP 199 Ca 0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 1bu7 h ASP 199 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1bu7 h ASP 199 CO 0.00 1.32 -0.32 -0.08 -1.72 0.00 0.00 179.24 178.44 1bu7 h GLU 200 N 0.60 0.00 0.41 3.56 4.57 -1.78 -2.06 114.58 119.88 1bu7 h GLU 200 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1bu7 h GLU 200 Cb 1.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1bu7 h GLU 200 CO 0.13 0.32 -0.28 -0.91 -1.18 0.00 0.00 179.01 177.08 1bu7 h ASN 201 N 0.00 -0.73 -0.97 1.04 2.35 -1.68 -0.32 115.58 115.27 1bu7 h ASN 201 Ca -0.00 0.05 0.20 0.00 -0.55 0.00 0.00 56.30 55.99 1bu7 h ASN 201 Cb 0.87 0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.38 1bu7 h ASN 201 CO 0.04 -0.44 0.61 0.11 -1.65 0.00 0.00 177.43 176.11 1bu7 h LYS 202 N -0.68 0.60 0.52 0.81 1.57 -1.19 -1.86 116.57 116.35 1bu7 h LYS 202 Ca -0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1bu7 h LYS 202 Cb 0.57 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1bu7 h LYS 202 CO 0.02 0.39 -0.38 -0.09 -0.57 0.00 0.00 179.45 178.83 1bu7 h ARG 203 N 0.61 -0.84 -0.05 3.15 2.43 -0.41 -2.62 114.38 116.65 1bu7 h ARG 203 Ca 0.54 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.75 1bu7 h ARG 203 Cb 1.03 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1bu7 h ARG 203 CO -0.29 -0.56 -0.05 0.37 -1.51 0.00 0.00 179.97 177.92 1bu7 h GLN 204 N -0.88 0.07 0.19 0.20 5.75 -0.41 -2.50 115.11 117.54 1bu7 h GLN 204 Ca -0.06 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1bu7 h GLN 204 Cb 0.73 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 1bu7 h GLN 204 CO 0.02 0.13 -0.13 0.35 -2.65 0.00 0.00 178.83 176.56 1bu7 h PHE 205 N 0.07 -0.32 -0.10 3.99 3.57 -1.00 0.97 116.94 124.11 1bu7 h PHE 205 Ca 0.02 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1bu7 h PHE 205 Cb 0.14 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1bu7 h PHE 205 CO 0.00 -0.20 -0.20 1.96 -2.23 0.00 0.00 178.31 177.64 1bu7 h GLN 206 N -0.31 0.16 -0.12 1.11 1.08 -1.20 -0.55 115.11 115.28 1bu7 h GLN 206 Ca -0.01 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1bu7 h GLN 206 Cb 0.27 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1bu7 h GLN 206 CO 0.01 0.37 -0.33 1.49 -0.95 0.00 0.00 178.83 179.42 1bu7 h GLU 207 N 0.15 0.24 -0.25 1.46 4.81 -1.09 -2.72 114.58 117.18 1bu7 h GLU 207 Ca 0.03 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1bu7 h GLU 207 Cb 0.46 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1bu7 h GLU 207 CO 0.03 0.55 -0.57 -0.44 -0.73 0.00 0.00 179.01 177.85 1bu7 h ASP 208 N 0.21 0.87 0.35 1.04 3.32 0.70 -2.45 116.42 120.46 1bu7 h ASP 208 Ca 0.03 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1bu7 h ASP 208 Cb 0.69 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1bu7 h ASP 208 CO 0.05 1.26 -0.01 0.40 -1.72 0.00 0.00 179.24 179.22 1bu7 h ILE 209 N 0.59 0.06 0.10 0.35 2.04 -1.18 -2.25 117.51 117.22 1bu7 h ILE 209 Ca 0.01 -0.20 -0.33 0.00 1.00 0.00 0.00 64.86 65.33 1bu7 h ILE 209 Cb 1.17 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1bu7 h ILE 209 CO 0.12 0.01 -1.81 0.11 0.00 0.00 0.00 178.15 176.58 1bu7 h LYS 210 N 0.00 0.21 -0.30 2.37 6.56 -1.14 -2.90 116.57 121.36 1bu7 h LYS 210 Ca -0.00 -0.36 0.05 0.00 -1.06 0.00 0.00 60.65 59.28 1bu7 h LYS 210 Cb 0.19 0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 1bu7 h LYS 210 CO 0.00 1.03 0.04 0.28 -2.06 0.00 0.00 179.45 178.74 1bu7 h VAL 211 N 0.06 0.83 0.39 0.50 2.07 -1.09 -1.01 116.25 117.99 1bu7 h VAL 211 Ca -0.35 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1bu7 h VAL 211 Cb 2.03 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1bu7 h VAL 211 CO 0.11 0.03 -0.19 0.24 0.02 0.00 0.00 177.57 177.78 1bu7 h MET 212 N 0.14 -0.50 -0.56 1.57 2.86 -1.52 -2.60 114.93 114.32 1bu7 h MET 212 Ca 0.14 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1bu7 h MET 212 Cb 0.17 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1bu7 h MET 212 CO -0.21 -0.27 0.36 -0.91 1.06 0.00 0.00 176.91 176.94 1bu7 h ASN 213 N -0.63 0.60 -0.13 1.22 2.35 -1.51 -2.51 115.58 114.97 1bu7 h ASN 213 Ca -0.05 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1bu7 h ASN 213 Cb 0.46 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1bu7 h ASN 213 CO 0.09 0.43 -0.25 0.44 -1.65 0.00 0.00 177.43 176.48 1bu7 h ASP 214 N 0.72 0.60 0.34 5.81 3.32 -1.18 0.62 116.42 126.64 1bu7 h ASP 214 Ca 0.21 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1bu7 h ASP 214 Cb -0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1bu7 h ASP 214 CO -0.07 0.84 -0.16 0.25 -1.72 0.00 0.00 179.24 178.38 1bu7 h LEU 215 N 0.52 -0.39 -0.29 1.55 5.85 -1.35 -1.40 115.31 119.79 1bu7 h LEU 215 Ca 0.07 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1bu7 h LEU 215 Cb 0.71 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1bu7 h LEU 215 CO 0.05 -0.17 0.02 0.58 -0.34 0.00 0.00 178.44 178.58 1bu7 h VAL 216 N -0.60 1.25 -0.69 1.05 2.07 -1.22 -0.05 116.25 118.07 1bu7 h VAL 216 Ca -0.05 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 66.68 1bu7 h VAL 216 Cb 0.44 1.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1bu7 h VAL 216 CO 0.08 0.29 0.30 0.44 0.02 0.00 0.00 177.57 178.69 1bu7 h ASP 217 N 0.31 0.34 -0.37 0.57 3.32 0.14 -0.94 116.42 119.79 1bu7 h ASP 217 Ca 0.09 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 1bu7 h ASP 217 Cb 0.40 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1bu7 h ASP 217 CO 0.01 0.18 -0.29 0.50 -1.72 0.00 0.00 179.24 177.92 1bu7 h LYS 218 N 0.50 0.85 -0.53 3.56 1.63 -0.68 -1.19 116.57 120.70 1bu7 h LYS 218 Ca 0.35 -0.42 0.07 0.00 -0.85 0.00 0.00 60.65 59.80 1bu7 h LYS 218 Cb 0.43 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 1bu7 h LYS 218 CO -0.31 1.06 0.22 0.82 -3.45 0.00 0.00 179.45 177.79 1bu7 h ILE 219 N 0.65 0.86 -0.37 2.00 2.04 -0.82 0.29 117.51 122.16 1bu7 h ILE 219 Ca 0.07 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1bu7 h ILE 219 Cb 0.87 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1bu7 h ILE 219 CO 0.08 0.08 0.14 0.40 0.00 0.00 0.00 178.15 178.84 1bu7 h ILE 220 N 0.42 1.19 -0.34 -0.67 2.04 -1.01 -1.37 117.51 117.77 1bu7 h ILE 220 Ca 0.25 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1bu7 h ILE 220 Cb 0.25 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1bu7 h ILE 220 CO -0.23 0.21 0.21 0.00 0.00 0.00 0.00 178.15 178.34 1bu7 h ALA 221 N 0.99 0.43 -0.73 1.87 0.00 -0.80 -0.91 119.26 120.10 1bu7 h ALA 221 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1bu7 h ALA 221 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1bu7 h ALA 221 CO -0.01 -0.08 0.30 -0.44 0.00 0.00 0.00 179.25 179.03 1bu7 h ASP 222 N 0.44 1.00 -0.62 0.00 3.32 -0.37 -1.66 116.42 118.54 1bu7 h ASP 222 Ca 0.12 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1bu7 h ASP 222 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1bu7 h ASP 222 CO -0.02 0.89 0.31 -0.09 -1.72 0.00 0.00 179.24 178.61 1bu7 h ARG 223 N 1.04 0.92 -0.31 3.56 9.65 -0.81 -1.03 114.38 127.41 1bu7 h ARG 223 Ca 0.24 -0.12 -0.14 0.00 -1.10 0.00 0.00 59.98 58.87 1bu7 h ARG 223 Cb 0.20 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1bu7 h ARG 223 CO -0.02 0.71 -0.36 0.87 2.80 0.00 0.00 179.97 183.97 1bu7 h LYS 224 N 0.92 0.70 -0.52 0.20 1.57 -0.80 -0.63 116.57 118.00 1bu7 h LYS 224 Ca 0.23 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1bu7 h LYS 224 Cb 0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1bu7 h LYS 224 CO -0.03 0.95 -0.11 0.00 -0.57 0.00 0.00 179.45 179.69 1bu7 h ALA 225 N 1.02 0.71 0.00 3.86 0.00 -0.78 -3.16 119.26 120.91 1bu7 h ALA 225 Ca 0.06 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1bu7 h ALA 225 Cb 0.88 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1bu7 h ALA 225 CO 0.08 0.62 -0.92 0.66 0.00 0.00 0.00 179.25 179.69 1bu7 h SER 226 N 0.86 0.01 -0.11 0.00 4.64 -1.15 -3.47 113.55 114.32 1bu7 h SER 226 Ca 0.13 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1bu7 h SER 226 Cb 0.67 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1bu7 h SER 226 CO 0.05 0.93 -0.04 0.61 -0.87 0.00 0.00 176.83 177.50 1bu7 n GLY 227 N 1.11 0.53 3.77 -0.77 0.00 -0.25 -4.99 105.19 104.60 1bu7 n GLY 227 Ca -0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1bu7 n GLY 227 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bu7 s GLU 228 N -1.32 3.30 -0.08 1.61 2.12 -1.25 -5.03 118.70 118.05 1bu7 s GLU 228 Ca 0.00 1.71 0.03 0.00 0.36 0.00 0.00 54.97 57.07 1bu7 s GLU 228 Cb 0.00 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.33 1bu7 s GLU 228 CO 0.00 -0.91 -0.18 -0.65 -0.54 0.00 0.00 175.26 172.98 1bu7 s GLN 229 N -3.21 2.84 0.36 4.30 -1.52 -1.26 -4.99 119.66 116.19 1bu7 s GLN 229 Ca 0.73 -0.77 0.06 0.00 -1.95 0.00 0.00 55.36 53.43 1bu7 s GLN 229 Cb -0.27 -2.39 -0.03 0.00 -0.22 0.00 0.00 33.01 30.11 1bu7 s GLN 229 CO 0.30 0.39 0.23 -1.54 -0.25 0.00 0.00 175.29 174.42 1bu7 s SER 230 N -0.14 2.07 -0.37 5.90 1.04 -1.26 -5.04 113.70 115.89 1bu7 s SER 230 Ca -0.02 -1.74 -0.01 0.00 0.48 0.00 0.00 55.95 54.66 1bu7 s SER 230 Cb -0.14 0.56 0.24 0.00 0.10 0.00 0.00 66.02 66.78 1bu7 s SER 230 CO 0.04 -1.03 2.05 -0.90 0.98 0.00 0.00 173.24 174.38 1bu7 n ASP 231 N -1.48 6.66 -4.58 7.02 5.68 -1.26 -4.80 116.55 123.80 1bu7 n ASP 231 Ca 0.03 -3.18 -0.25 0.00 -0.50 0.00 0.00 54.79 50.89 1bu7 n ASP 231 Cb 0.63 -1.05 -0.10 0.00 -1.14 0.00 0.00 41.12 39.46 1bu7 n ASP 231 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1bu7 s ASP 232 N -0.11 3.92 0.54 -1.12 1.47 -1.26 -4.81 116.67 115.30 1bu7 s ASP 232 Ca 0.37 -1.09 0.23 0.00 1.18 0.00 0.00 52.55 53.24 1bu7 s ASP 232 Cb 0.29 -0.43 1.49 0.00 -0.34 0.00 0.00 42.92 43.92 1bu7 s ASP 232 CO -0.01 -0.20 2.16 -0.07 0.68 0.00 0.00 175.17 177.73 1bu7 h LEU 233 N 1.95 0.00 -0.37 2.11 3.38 -1.23 -2.88 115.31 118.27 1bu7 h LEU 233 Ca -0.42 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1bu7 h LEU 233 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1bu7 h LEU 233 CO 0.68 0.05 -0.16 0.25 0.09 0.00 0.00 178.44 179.35 1bu7 h LEU 234 N 0.00 0.77 -0.47 1.67 5.85 -1.64 -0.64 115.31 120.85 1bu7 h LEU 234 Ca -0.00 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.39 1bu7 h LEU 234 Cb 0.10 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1bu7 h LEU 234 CO 0.01 1.00 0.15 0.74 -0.34 0.00 0.00 178.44 179.99 1bu7 h THR 235 N 0.54 0.82 -0.50 1.05 2.02 -1.81 -0.55 112.91 114.48 1bu7 h THR 235 Ca 0.08 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1bu7 h THR 235 Cb 0.69 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1bu7 h THR 235 CO 0.05 0.06 0.27 0.45 0.37 0.00 0.00 175.52 176.71 1bu7 h HIS 236 N 0.32 0.49 0.00 3.16 3.86 -1.38 -1.55 115.15 120.05 1bu7 h HIS 236 Ca 0.23 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1bu7 h HIS 236 Cb 0.25 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1bu7 h HIS 236 CO -0.17 0.25 -0.44 0.52 0.86 0.00 0.00 177.93 178.95 1bu7 h MET 237 N 0.52 0.00 0.00 2.45 2.07 -0.63 0.16 114.93 119.51 1bu7 h MET 237 Ca 0.22 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.72 1bu7 h MET 237 Cb 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 1bu7 h MET 237 CO -0.14 0.44 -0.65 -0.07 1.07 0.00 0.00 176.91 177.57 1bu7 h LEU 238 N 0.00 0.00 0.00 1.22 3.38 -0.65 -3.33 115.31 115.93 1bu7 h LEU 238 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bu7 h LEU 238 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1bu7 h LEU 238 CO 0.06 0.61 -1.27 0.59 0.09 0.00 0.00 178.44 178.51 1bu7 n ASN 239 N -3.23 0.72 -4.85 -0.43 3.02 -0.62 -5.02 115.26 104.85 1bu7 n ASN 239 Ca 0.01 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.55 1bu7 n ASN 239 Cb 0.78 1.29 -0.04 0.00 -0.61 0.00 0.00 39.78 41.21 1bu7 n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1bu7 s GLY 240 N -3.40 2.08 -0.01 7.41 0.00 0.56 -5.07 107.32 108.89 1bu7 s GLY 240 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1bu7 s GLY 240 CO 0.86 0.39 -0.07 0.54 0.00 0.00 0.00 173.10 174.82 1bu7 s LYS 241 N -3.91 0.63 -0.10 2.90 1.02 -1.26 -4.32 119.74 114.70 1bu7 s LYS 241 Ca 0.58 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.02 1bu7 s LYS 241 Cb -0.10 -0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 1bu7 s LYS 241 CO 0.29 0.13 1.55 0.34 -0.92 0.00 0.00 175.35 176.75 1bu7 s ASP 242 N -0.06 6.71 0.53 2.83 2.15 0.20 -4.82 116.67 124.21 1bu7 s ASP 242 Ca 0.01 2.03 0.20 0.00 0.43 0.00 0.00 52.55 55.22 1bu7 s ASP 242 Cb -0.04 -2.53 1.39 0.00 -0.30 0.00 0.00 42.92 41.44 1bu7 s ASP 242 CO -0.00 -0.92 2.16 1.55 -0.17 0.00 0.00 175.17 177.79 1bu7 h PRO 243 N 9.33 0.00 0.25 4.34 0.13 -1.92 0.39 132.00 144.52 1bu7 h PRO 243 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1bu7 h PRO 243 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1bu7 h PRO 243 CO 0.96 0.02 -0.12 0.93 -0.23 0.00 0.00 178.00 179.56 1bu7 h GLU 244 N 0.00 -0.32 0.00 0.86 5.08 -1.96 -3.34 114.58 114.90 1bu7 h GLU 244 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1bu7 h GLU 244 Cb 0.03 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1bu7 h GLU 244 CO 0.00 -0.22 -0.06 1.79 -1.00 0.00 0.00 179.01 179.52 1bu7 h THR 245 N -0.79 0.11 0.00 1.13 1.35 -1.98 -3.47 112.91 109.26 1bu7 h THR 245 Ca -0.03 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1bu7 h THR 245 Cb 0.26 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1bu7 h THR 245 CO 0.06 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1bu7 n GLY 246 N 0.94 0.49 3.91 5.82 0.00 0.14 -5.03 105.19 111.45 1bu7 n GLY 246 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1bu7 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bu7 s GLU 247 N -0.35 3.51 0.65 1.61 2.02 -1.22 -4.67 118.70 120.24 1bu7 s GLU 247 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.67 1bu7 s GLU 247 Cb 0.00 -2.98 0.05 0.00 0.10 0.00 0.00 34.13 31.29 1bu7 s GLU 247 CO 0.00 0.57 0.93 -1.25 0.02 0.00 0.00 175.26 175.53 1bu7 s PRO 248 N -2.45 2.38 0.30 0.39 0.04 -1.26 -0.63 135.00 133.77 1bu7 s PRO 248 Ca 0.36 -0.38 -0.28 0.00 0.04 0.00 0.00 61.00 60.74 1bu7 s PRO 248 Cb -0.13 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 1bu7 s PRO 248 CO 0.25 -1.02 1.03 -0.51 0.04 0.00 0.00 177.00 176.79 1bu7 s LEU 249 N -5.07 4.46 0.79 -3.56 1.43 -1.26 -4.96 118.68 110.51 1bu7 s LEU 249 Ca 0.58 2.09 -0.10 0.00 -1.03 0.00 0.00 54.13 55.67 1bu7 s LEU 249 Cb -0.11 -3.79 0.09 0.00 0.03 0.00 0.00 46.19 42.42 1bu7 s LEU 249 CO 0.43 -0.13 1.13 1.51 0.23 0.00 0.00 176.35 179.52 1bu7 s ASP 250 N -1.19 4.39 0.34 2.29 1.47 -1.26 -4.86 116.67 117.85 1bu7 s ASP 250 Ca 0.47 0.52 0.07 0.00 1.18 0.00 0.00 52.55 54.79 1bu7 s ASP 250 Cb -0.27 -1.00 0.63 0.00 -0.34 0.00 0.00 42.92 41.95 1bu7 s ASP 250 CO 0.34 -1.92 1.85 0.44 0.68 0.00 0.00 175.17 176.56 1bu7 h ASP 251 N -0.95 0.35 -0.31 2.11 3.32 -1.99 -1.07 116.42 117.87 1bu7 h ASP 251 Ca -0.45 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.47 1bu7 h ASP 251 Cb 1.31 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1bu7 h ASP 251 CO 0.58 0.52 0.00 -0.08 -1.72 0.00 0.00 179.24 178.55 1bu7 h GLU 252 N 0.34 0.55 -0.26 3.56 4.81 -1.99 -1.75 114.58 119.83 1bu7 h GLU 252 Ca 0.06 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1bu7 h GLU 252 Cb 0.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1bu7 h GLU 252 CO 0.03 0.68 -0.27 -0.97 -0.73 0.00 0.00 179.01 177.75 1bu7 h ASN 253 N 0.35 0.51 -0.76 1.04 -0.73 -1.83 -1.43 115.58 112.73 1bu7 h ASN 253 Ca 0.09 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.06 1bu7 h ASN 253 Cb 0.43 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.85 1bu7 h ASN 253 CO 0.02 0.77 0.41 0.40 -0.37 0.00 0.00 177.43 178.66 1bu7 h ILE 254 N 0.44 1.23 -0.36 2.57 2.04 -1.09 0.25 117.51 122.59 1bu7 h ILE 254 Ca 0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1bu7 h ILE 254 Cb 0.71 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1bu7 h ILE 254 CO 0.05 0.26 0.15 -0.09 0.00 0.00 0.00 178.15 178.52 1bu7 h ARG 255 N 1.07 0.54 -0.56 2.37 2.43 -0.74 -0.92 114.38 118.57 1bu7 h ARG 255 Ca 0.27 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1bu7 h ARG 255 Cb 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1bu7 h ARG 255 CO -0.04 0.52 0.31 1.88 -1.51 0.00 0.00 179.97 181.12 1bu7 h TYR 256 N 0.44 0.75 -0.54 2.20 0.05 -0.67 -1.16 116.97 118.05 1bu7 h TYR 256 Ca 0.12 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 1bu7 h TYR 256 Cb 0.17 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1bu7 h TYR 256 CO -0.00 0.53 0.06 1.96 -1.05 0.00 0.00 178.16 179.66 1bu7 h GLN 257 N 0.78 0.91 -0.46 4.88 1.08 -0.53 0.40 115.11 122.17 1bu7 h GLN 257 Ca 0.20 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 57.01 1bu7 h GLN 257 Cb 0.02 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1bu7 h GLN 257 CO -0.03 0.90 -0.22 0.82 -0.95 0.00 0.00 178.83 179.34 1bu7 h ILE 258 N 0.80 1.27 -0.43 2.54 2.04 -0.64 -0.30 117.51 122.79 1bu7 h ILE 258 Ca 0.16 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 1bu7 h ILE 258 Cb 0.45 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1bu7 h ILE 258 CO 0.02 0.48 0.25 0.40 0.00 0.00 0.00 178.15 179.29 1bu7 h ILE 259 N 0.82 1.14 -0.82 -0.67 2.04 -1.19 -2.61 117.51 116.22 1bu7 h ILE 259 Ca 0.10 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1bu7 h ILE 259 Cb 0.80 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1bu7 h ILE 259 CO 0.07 0.14 0.51 0.74 0.00 0.00 0.00 178.15 179.62 1bu7 h THR 260 N 0.56 1.06 -0.78 -0.27 2.02 -0.52 -0.90 112.91 114.09 1bu7 h THR 260 Ca 0.15 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1bu7 h THR 260 Cb 0.01 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 1bu7 h THR 260 CO -0.03 0.17 0.36 -0.26 0.37 0.00 0.00 175.52 176.14 1bu7 h PHE 261 N 0.96 1.13 0.19 3.16 0.04 -0.76 -0.63 116.94 121.04 1bu7 h PHE 261 Ca 0.35 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 1bu7 h PHE 261 Cb 0.12 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.92 1bu7 h PHE 261 CO -0.03 0.84 -0.09 -0.07 -0.60 0.00 0.00 178.31 178.35 1bu7 h LEU 262 N 1.10 -0.22 0.65 1.54 3.38 -1.11 -2.61 115.31 118.04 1bu7 h LEU 262 Ca 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1bu7 h LEU 262 Cb 0.14 0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1bu7 h LEU 262 CO -0.03 0.12 -0.31 0.16 0.09 0.00 0.00 178.44 178.47 1bu7 h ILE 263 N -0.58 0.00 -0.31 1.22 3.07 -0.91 -2.87 117.51 117.12 1bu7 h ILE 263 Ca -0.03 -0.16 0.01 0.00 1.55 0.00 0.00 64.86 66.23 1bu7 h ILE 263 Cb 0.43 0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 36.97 1bu7 h ILE 263 CO 0.04 0.00 0.21 0.00 -1.05 0.00 0.00 178.15 177.35 1bu7 h ALA 264 N -1.44 1.79 0.00 0.16 0.00 -1.24 -3.09 119.26 115.44 1bu7 h ALA 264 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bu7 h ALA 264 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bu7 h ALA 264 CO 0.15 0.19 -1.39 0.41 0.00 0.00 0.00 179.25 178.61 1bu7 n GLY 265 N -1.49 -0.67 0.14 0.00 0.00 -0.98 -4.33 105.19 97.85 1bu7 n GLY 265 Ca 0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1bu7 n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1bu7 h HIS 266 N 0.00 0.51 0.05 1.61 2.07 -1.41 -2.70 115.15 115.27 1bu7 h HIS 266 Ca 0.00 -0.21 -0.24 0.00 -2.85 0.00 0.00 60.37 57.06 1bu7 h HIS 266 Cb 0.62 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 30.50 1bu7 h HIS 266 CO 0.00 0.95 -1.14 1.49 -3.07 0.00 0.00 177.93 176.17 1bu7 h GLU 267 N -0.09 0.11 -0.18 5.12 4.81 -1.82 -2.32 114.58 120.21 1bu7 h GLU 267 Ca -0.02 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1bu7 h GLU 267 Cb 0.98 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1bu7 h GLU 267 CO 0.07 1.07 -0.23 1.79 -0.73 0.00 0.00 179.01 180.99 1bu7 h THR 268 N 0.03 1.34 -0.27 0.32 1.35 -1.75 -1.92 112.91 112.01 1bu7 h THR 268 Ca -0.08 -1.42 -0.15 0.00 -0.55 0.00 0.00 66.41 64.21 1bu7 h THR 268 Cb 1.87 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 70.12 1bu7 h THR 268 CO 0.16 0.43 -0.45 0.74 -0.25 0.00 0.00 175.52 176.15 1bu7 h THR 269 N 0.13 1.29 -0.39 6.82 2.02 -1.49 -0.96 112.91 120.33 1bu7 h THR 269 Ca 0.02 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 65.43 1bu7 h THR 269 Cb 0.79 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1bu7 h THR 269 CO 0.05 0.53 -0.27 0.77 0.37 0.00 0.00 175.52 176.97 1bu7 h SER 270 N 0.56 0.85 -0.48 4.18 4.64 -1.48 -1.74 113.55 120.09 1bu7 h SER 270 Ca 0.03 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1bu7 h SER 270 Cb 1.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1bu7 h SER 270 CO 0.09 1.07 0.24 1.23 -0.87 0.00 0.00 176.83 178.60 1bu7 h GLY 271 N 0.93 0.73 0.47 -0.77 0.00 -1.15 -1.21 103.07 102.07 1bu7 h GLY 271 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1bu7 h GLY 271 CO 0.07 0.33 -0.08 -2.00 0.00 0.00 0.00 176.54 174.86 1bu7 h LEU 272 N 0.63 -0.28 -1.08 3.11 5.85 -0.92 -0.12 115.31 122.51 1bu7 h LEU 272 Ca 0.17 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1bu7 h LEU 272 Cb 0.09 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1bu7 h LEU 272 CO -0.02 -0.10 0.60 -0.07 -0.34 0.00 0.00 178.44 178.50 1bu7 h LEU 273 N -0.03 1.07 0.01 2.25 3.38 -1.15 -0.40 115.31 120.43 1bu7 h LEU 273 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1bu7 h LEU 273 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1bu7 h LEU 273 CO -0.27 0.78 -0.01 0.28 0.09 0.00 0.00 178.44 179.32 1bu7 h SER 274 N 1.25 -0.02 -0.79 -0.43 0.02 -0.80 -1.13 113.55 111.66 1bu7 h SER 274 Ca 0.34 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1bu7 h SER 274 Cb -0.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1bu7 h SER 274 CO -0.07 0.27 0.36 -0.26 -1.14 0.00 0.00 176.83 175.99 1bu7 h PHE 275 N -0.30 1.16 0.03 3.45 0.04 -0.88 -1.40 116.94 119.04 1bu7 h PHE 275 Ca -0.00 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1bu7 h PHE 275 Cb 0.29 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 1bu7 h PHE 275 CO 0.02 0.85 -0.02 0.00 -0.60 0.00 0.00 178.31 178.56 1bu7 h ALA 276 N 1.26 -0.05 -0.51 2.45 0.00 -0.95 -0.12 119.26 121.33 1bu7 h ALA 276 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1bu7 h ALA 276 Cb 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bu7 h ALA 276 CO -0.03 -0.53 0.15 1.25 0.00 0.00 0.00 179.25 180.09 1bu7 h LEU 277 N -0.06 0.69 0.27 0.00 5.85 -1.09 -0.77 115.31 120.20 1bu7 h LEU 277 Ca -0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1bu7 h LEU 277 Cb 0.05 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1bu7 h LEU 277 CO -0.00 0.67 -0.37 0.22 -0.34 0.00 0.00 178.44 178.62 1bu7 h TYR 278 N 0.74 -1.00 -0.41 1.25 3.20 -0.90 -1.34 116.97 118.50 1bu7 h TYR 278 Ca 0.17 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1bu7 h TYR 278 Cb 0.23 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1bu7 h TYR 278 CO 0.01 -0.50 0.01 0.74 -1.64 0.00 0.00 178.16 176.79 1bu7 h PHE 279 N -0.69 0.69 -0.39 -3.82 0.04 -0.75 -1.86 116.94 110.15 1bu7 h PHE 279 Ca -0.01 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1bu7 h PHE 279 Cb 0.66 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1bu7 h PHE 279 CO -0.25 0.65 0.18 -0.07 -0.60 0.00 0.00 178.31 178.21 1bu7 h LEU 280 N 0.63 0.51 -1.19 1.54 3.38 -0.91 -1.48 115.31 117.79 1bu7 h LEU 280 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1bu7 h LEU 280 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1bu7 h LEU 280 CO 0.01 0.50 -0.15 -0.37 0.09 0.00 0.00 178.44 178.52 1bu7 h VAL 281 N 0.49 0.38 0.00 1.22 -1.51 -0.82 -2.11 116.25 113.88 1bu7 h VAL 281 Ca 0.13 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 1bu7 h VAL 281 Cb 0.13 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1bu7 h VAL 281 CO -0.02 0.15 -0.08 0.29 -1.23 0.00 0.00 177.57 176.68 1bu7 n LYS 282 N -3.30 0.11 -3.54 5.19 4.76 -0.74 -4.36 118.16 116.28 1bu7 n LYS 282 Ca 0.00 0.08 -0.27 0.00 -2.87 0.00 0.00 58.31 55.25 1bu7 n LYS 282 Cb 0.39 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 1bu7 n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bu7 n ASN 283 N -1.80 0.84 0.20 4.39 3.02 -0.59 -5.00 115.26 116.32 1bu7 n ASN 283 Ca 0.06 -2.70 0.14 0.00 -0.03 0.00 0.00 54.58 52.05 1bu7 n ASN 283 Cb 0.38 -0.63 0.76 0.00 -0.61 0.00 0.00 39.78 39.68 1bu7 n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1bu7 h PRO 284 N 5.36 0.00 -0.24 3.52 0.11 -1.76 -0.74 132.00 138.25 1bu7 h PRO 284 Ca 0.21 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 1bu7 h PRO 284 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1bu7 h PRO 284 CO 0.51 0.00 -0.45 0.45 -0.21 0.00 0.00 178.00 178.29 1bu7 h HIS 285 N 0.00 0.75 -0.26 0.65 3.86 -1.95 -1.17 115.15 117.04 1bu7 h HIS 285 Ca 0.08 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 59.00 1bu7 h HIS 285 Cb 0.35 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1bu7 h HIS 285 CO 0.00 0.96 -0.03 0.28 0.86 0.00 0.00 177.93 180.01 1bu7 h VAL 286 N 0.50 1.27 -0.35 2.45 2.07 -1.50 -2.14 116.25 118.54 1bu7 h VAL 286 Ca 0.03 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.62 1bu7 h VAL 286 Cb 0.98 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1bu7 h VAL 286 CO 0.09 0.31 0.08 0.25 0.02 0.00 0.00 177.57 178.32 1bu7 h LEU 287 N 0.23 0.03 -0.46 2.57 6.46 -1.27 -0.76 115.31 122.12 1bu7 h LEU 287 Ca 0.07 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1bu7 h LEU 287 Cb 0.47 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1bu7 h LEU 287 CO 0.02 0.06 0.22 -0.61 -0.62 0.00 0.00 178.44 177.50 1bu7 h GLN 288 N 0.21 0.42 -0.58 1.25 4.15 -1.11 0.26 115.11 119.72 1bu7 h GLN 288 Ca 0.17 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1bu7 h GLN 288 Cb 0.18 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1bu7 h GLN 288 CO -0.21 0.28 0.32 -0.22 -1.93 0.00 0.00 178.83 177.07 1bu7 h LYS 289 N 0.44 0.81 -0.35 1.69 3.64 -1.05 -0.79 116.57 120.96 1bu7 h LYS 289 Ca 0.20 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1bu7 h LYS 289 Cb 0.12 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1bu7 h LYS 289 CO -0.15 0.62 0.17 0.00 -2.27 0.00 0.00 179.45 177.82 1bu7 h ALA 290 N 1.15 0.45 -0.26 5.00 0.00 -0.70 -2.36 119.26 122.53 1bu7 h ALA 290 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1bu7 h ALA 290 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1bu7 h ALA 290 CO -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 1bu7 h ALA 291 N 1.02 1.29 -0.63 0.00 0.00 -0.79 -0.77 119.26 119.39 1bu7 h ALA 291 Ca 0.12 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1bu7 h ALA 291 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1bu7 h ALA 291 CO -0.02 0.47 0.13 0.93 0.00 0.00 0.00 179.25 180.77 1bu7 h GLU 292 N 0.40 1.02 -0.22 0.00 5.08 -1.01 -0.44 114.58 119.41 1bu7 h GLU 292 Ca 0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1bu7 h GLU 292 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1bu7 h GLU 292 CO 0.03 0.93 0.10 1.49 -1.00 0.00 0.00 179.01 180.56 1bu7 h GLU 293 N 0.93 0.32 -0.76 2.33 4.81 -0.88 -1.71 114.58 119.63 1bu7 h GLU 293 Ca 0.19 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1bu7 h GLU 293 Cb 0.39 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 1bu7 h GLU 293 CO 0.01 0.35 0.37 0.00 -0.73 0.00 0.00 179.01 179.01 1bu7 h ALA 294 N 0.96 1.08 -0.39 2.92 0.00 -1.04 0.22 119.26 123.01 1bu7 h ALA 294 Ca 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1bu7 h ALA 294 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bu7 h ALA 294 CO -0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 179.25 178.94 1bu7 h ALA 295 N 1.48 0.87 -0.62 0.00 0.00 -0.75 -0.16 119.26 120.08 1bu7 h ALA 295 Ca 0.39 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1bu7 h ALA 295 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1bu7 h ALA 295 CO -0.31 0.63 -0.00 -0.09 0.00 0.00 0.00 179.25 179.48 1bu7 h ARG 296 N 0.67 1.09 0.04 0.00 2.43 -0.64 -3.36 114.38 114.61 1bu7 h ARG 296 Ca 0.09 -0.35 -0.38 0.00 -0.81 0.00 0.00 59.98 58.54 1bu7 h ARG 296 Cb 0.74 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1bu7 h ARG 296 CO 0.06 1.06 -2.22 0.28 -1.51 0.00 0.00 179.97 177.63 1bu7 n VAL 297 N -4.18 1.60 -2.57 0.20 0.31 0.00 -4.63 118.33 109.06 1bu7 n VAL 297 Ca 0.03 -0.54 -0.43 0.00 -0.01 0.00 0.00 64.34 63.39 1bu7 n VAL 297 Cb 0.35 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1bu7 n VAL 297 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bu7 n LEU 298 N -3.54 5.93 -0.28 7.52 4.77 -0.08 -4.71 117.00 126.60 1bu7 n LEU 298 Ca -0.41 -4.48 0.14 0.00 -0.03 0.00 0.00 56.01 51.23 1bu7 n LEU 298 Cb 0.98 -1.57 0.59 0.00 -2.33 0.00 0.00 43.42 41.09 1bu7 n LEU 298 CO 0.29 0.99 0.87 1.33 -1.33 0.00 0.00 177.39 179.54 1bu7 n VAL 299 N 4.22 0.00 -4.21 4.08 0.24 -1.26 -4.87 118.33 116.53 1bu7 n VAL 299 Ca 0.40 -0.15 -0.27 0.00 -2.04 0.00 0.00 64.34 62.28 1bu7 n VAL 299 Cb 0.40 0.18 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 1bu7 n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1bu7 s ASP 300 N -2.19 4.67 0.30 -1.34 1.01 -1.26 -5.01 116.67 112.85 1bu7 s ASP 300 Ca 0.35 -0.40 0.06 0.00 0.71 0.00 0.00 52.55 53.28 1bu7 s ASP 300 Cb 0.21 -0.97 0.73 0.00 1.01 0.00 0.00 42.92 43.90 1bu7 s ASP 300 CO 0.40 0.11 1.78 -0.65 0.21 0.00 0.00 175.17 177.03 1bu7 h PRO 301 N 2.95 0.76 -4.94 8.23 0.11 -1.89 -3.37 132.00 133.84 1bu7 h PRO 301 Ca -0.47 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 64.93 1bu7 h PRO 301 Cb 1.19 -0.17 -0.28 0.00 0.11 0.00 0.00 31.00 31.85 1bu7 h PRO 301 CO 0.57 0.50 -0.71 0.08 -0.21 0.00 0.00 178.00 178.23 1bu7 s VAL 302 N -5.85 3.39 0.42 3.15 1.01 -1.26 -4.74 120.40 116.53 1bu7 s VAL 302 Ca -0.11 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1bu7 s VAL 302 Cb 0.25 -2.62 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 1bu7 s VAL 302 CO 0.80 0.32 1.31 -2.84 0.00 0.00 0.00 175.10 174.69 1bu7 s PRO 303 N 1.46 3.87 0.45 2.72 0.02 -1.26 -5.01 135.00 137.24 1bu7 s PRO 303 Ca 0.04 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.23 1bu7 s PRO 303 Cb -0.15 -2.69 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 1bu7 s PRO 303 CO -0.02 -0.58 0.68 -1.54 -0.33 0.00 0.00 177.00 175.20 1bu7 s SER 304 N -0.76 5.92 0.17 2.53 1.04 -1.26 -5.00 113.70 116.33 1bu7 s SER 304 Ca 0.59 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 1bu7 s SER 304 Cb -0.38 -1.67 0.12 0.00 0.10 0.00 0.00 66.02 64.19 1bu7 s SER 304 CO 0.49 -0.66 1.72 0.22 0.98 0.00 0.00 173.24 175.99 1bu7 h TYR 305 N 0.40 0.09 -0.75 5.02 3.20 -1.95 -2.52 116.97 120.47 1bu7 h TYR 305 Ca -0.47 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 1bu7 h TYR 305 Cb 1.24 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 1bu7 h TYR 305 CO 0.47 -0.01 0.45 0.87 -1.64 0.00 0.00 178.16 178.30 1bu7 h LYS 306 N 0.18 1.01 -0.46 1.82 1.79 -2.00 -2.06 116.57 116.86 1bu7 h LYS 306 Ca 0.20 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1bu7 h LYS 306 Cb 0.26 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1bu7 h LYS 306 CO -0.28 0.71 0.14 1.96 -1.08 0.00 0.00 179.45 180.90 1bu7 h GLN 307 N 1.03 0.71 -0.96 3.15 4.20 -1.87 -2.66 115.11 118.71 1bu7 h GLN 307 Ca 0.27 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1bu7 h GLN 307 Cb -0.04 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 1bu7 h GLN 307 CO -0.05 0.68 0.63 0.28 -0.67 0.00 0.00 178.83 179.70 1bu7 h VAL 308 N 0.60 1.20 0.00 -0.54 2.07 -0.96 0.12 116.25 118.75 1bu7 h VAL 308 Ca 0.15 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1bu7 h VAL 308 Cb 0.27 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1bu7 h VAL 308 CO -0.00 0.23 -0.02 0.11 0.02 0.00 0.00 177.57 177.90 1bu7 h LYS 309 N 1.24 0.00 -0.00 1.57 1.79 -1.10 -1.78 116.57 118.30 1bu7 h LYS 309 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1bu7 h LYS 309 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1bu7 h LYS 309 CO -0.10 0.02 -0.25 1.04 -1.08 0.00 0.00 179.45 179.09 1bu7 n GLN 310 N -3.37 0.45 -1.54 3.15 6.02 0.43 -4.49 117.38 118.03 1bu7 n GLN 310 Ca -0.02 -0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.35 1bu7 n GLN 310 Cb 0.13 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 1bu7 n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1bu7 n LEU 311 N -1.09 7.89 -0.16 1.08 4.77 -0.67 -4.72 117.00 124.09 1bu7 n LEU 311 Ca 0.10 -4.29 -0.08 0.00 -0.03 0.00 0.00 56.01 51.71 1bu7 n LEU 311 Cb 0.32 -1.59 0.01 0.00 -2.33 0.00 0.00 43.42 39.83 1bu7 n LEU 311 CO 0.28 1.65 1.04 0.11 -1.33 0.00 0.00 177.39 179.13 1bu7 h LYS 312 N 5.44 0.66 -0.25 3.23 1.79 -1.85 -1.69 116.57 123.89 1bu7 h LYS 312 Ca 0.73 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.98 1bu7 h LYS 312 Cb 0.44 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1bu7 h LYS 312 CO 1.82 0.49 -0.48 -0.92 -1.08 0.00 0.00 179.45 179.27 1bu7 h TYR 313 N 0.64 0.82 -0.94 -1.35 3.20 -1.98 -1.45 116.97 115.91 1bu7 h TYR 313 Ca 0.17 -0.27 0.05 0.00 3.14 0.00 0.00 58.73 61.83 1bu7 h TYR 313 Cb 0.00 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 1bu7 h TYR 313 CO -0.03 1.02 0.60 0.28 -1.64 0.00 0.00 178.16 178.39 1bu7 h VAL 314 N 0.53 1.10 -0.74 1.81 2.07 -1.85 0.15 116.25 119.32 1bu7 h VAL 314 Ca 0.03 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1bu7 h VAL 314 Cb 1.03 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1bu7 h VAL 314 CO 0.10 0.21 0.46 1.23 0.02 0.00 0.00 177.57 179.58 1bu7 h GLY 315 N 1.13 1.08 1.08 2.17 0.00 -0.77 -1.24 103.07 106.52 1bu7 h GLY 315 Ca 0.40 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1bu7 h GLY 315 CO -0.15 0.27 0.14 -0.33 0.00 0.00 0.00 176.54 176.47 1bu7 h MET 316 N 0.88 1.13 -0.41 4.80 2.07 -0.30 -0.83 114.93 122.27 1bu7 h MET 316 Ca 0.31 -0.29 0.05 0.00 -2.07 0.00 0.00 59.70 57.70 1bu7 h MET 316 Cb 0.07 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 29.61 1bu7 h MET 316 CO -0.13 1.01 0.15 0.28 1.07 0.00 0.00 176.91 179.29 1bu7 h VAL 317 N 1.07 0.88 -0.56 -2.22 2.07 -0.14 -0.30 116.25 117.04 1bu7 h VAL 317 Ca 0.22 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1bu7 h VAL 317 Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1bu7 h VAL 317 CO 0.01 0.06 0.19 -0.07 0.02 0.00 0.00 177.57 177.78 1bu7 h LEU 318 N 0.31 0.80 -1.05 2.57 3.38 -0.89 -1.14 115.31 119.29 1bu7 h LEU 318 Ca 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1bu7 h LEU 318 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1bu7 h LEU 318 CO -0.19 0.78 -0.06 0.78 0.09 0.00 0.00 178.44 179.85 1bu7 h ASN 319 N 0.78 0.59 0.70 -0.43 -0.26 -0.86 -0.29 115.58 115.80 1bu7 h ASN 319 Ca 0.18 -0.14 -0.11 0.00 -0.56 0.00 0.00 56.30 55.67 1bu7 h ASN 319 Cb 0.25 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1bu7 h ASN 319 CO -0.01 0.70 -0.54 -0.08 -1.06 0.00 0.00 177.43 176.44 1bu7 h GLU 320 N 0.57 0.00 -0.54 0.81 4.57 -0.54 0.12 114.58 119.56 1bu7 h GLU 320 Ca 0.11 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 1bu7 h GLU 320 Cb 0.45 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1bu7 h GLU 320 CO 0.02 0.54 -0.05 0.00 -1.18 0.00 0.00 179.01 178.34 1bu7 h ALA 321 N 1.46 0.74 -0.53 2.92 0.00 -0.80 -1.98 119.26 121.06 1bu7 h ALA 321 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1bu7 h ALA 321 Cb 1.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1bu7 h ALA 321 CO 0.07 0.60 0.14 -0.07 0.00 0.00 0.00 179.25 179.99 1bu7 h LEU 322 N 0.87 0.74 0.46 0.00 3.38 -0.55 -0.78 115.31 119.42 1bu7 h LEU 322 Ca 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1bu7 h LEU 322 Cb 0.60 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1bu7 h LEU 322 CO 0.04 0.72 -0.22 -0.09 0.09 0.00 0.00 178.44 178.98 1bu7 h ARG 323 N 0.78 -0.59 -0.23 1.13 2.43 -0.46 -2.39 114.38 115.05 1bu7 h ARG 323 Ca 0.17 0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.20 1bu7 h ARG 323 Cb 0.26 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1bu7 h ARG 323 CO -0.00 -0.39 -0.59 -0.07 -1.51 0.00 0.00 179.97 177.40 1bu7 h LEU 324 N -0.62 0.84 -6.17 3.80 3.38 -1.27 -3.39 115.31 111.88 1bu7 h LEU 324 Ca -0.06 -0.47 -0.57 0.00 0.09 0.00 0.00 57.88 56.86 1bu7 h LEU 324 Cb 0.47 -0.24 -0.39 0.00 0.09 0.00 0.00 40.66 40.59 1bu7 h LEU 324 CO 0.10 1.24 -1.01 0.79 0.09 0.00 0.00 178.44 179.65 1bu7 n TRP 325 N -3.97 -0.13 -1.95 1.13 7.02 -0.31 -4.89 117.44 114.34 1bu7 n TRP 325 Ca -0.04 -3.55 -0.42 0.00 -1.02 0.00 0.00 57.50 52.46 1bu7 n TRP 325 Cb 0.65 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1bu7 n TRP 325 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1bu7 s PRO 326 N -0.89 4.19 0.18 -0.99 0.04 -0.90 -4.63 135.00 132.00 1bu7 s PRO 326 Ca 0.34 2.29 0.25 0.00 0.04 0.00 0.00 61.00 63.92 1bu7 s PRO 326 Cb 0.12 -3.79 0.91 0.00 0.04 0.00 0.00 34.50 31.78 1bu7 s PRO 326 CO -0.13 -0.79 1.75 0.25 0.04 0.00 0.00 177.00 178.12 1bu7 n THR 327 N 5.07 0.63 -3.61 1.26 -2.24 -1.26 -3.30 114.28 110.83 1bu7 n THR 327 Ca 0.17 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.53 1bu7 n THR 327 Cb 0.42 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 1bu7 n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bu7 s ALA 328 N -3.15 3.97 -1.66 6.98 0.00 -1.26 -1.80 121.76 124.85 1bu7 s ALA 328 Ca 0.09 -3.53 0.30 0.00 0.00 0.00 0.00 51.96 48.81 1bu7 s ALA 328 Cb 0.12 -2.90 1.62 0.00 0.00 0.00 0.00 23.12 21.97 1bu7 s ALA 328 CO 0.49 -2.16 2.08 -0.35 0.00 0.00 0.00 175.76 175.82 1bu7 n PRO 329 N 3.06 0.63 -3.74 0.00 -0.04 -1.21 -4.78 135.00 128.92 1bu7 n PRO 329 Ca 0.15 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1bu7 n PRO 329 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 1bu7 n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bu7 s ALA 330 N -2.34 -0.88 0.04 0.55 0.00 -1.26 -1.55 121.76 116.31 1bu7 s ALA 330 Ca 0.35 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 1bu7 s ALA 330 Cb 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1bu7 s ALA 330 CO 0.41 -0.27 -0.03 -0.59 0.00 0.00 0.00 175.76 175.28 1bu7 s PHE 331 N -1.30 0.45 -0.02 0.00 -0.71 -1.11 -4.98 117.98 110.31 1bu7 s PHE 331 Ca -0.13 -0.87 0.04 0.00 -1.04 0.00 0.00 56.93 54.93 1bu7 s PHE 331 Cb -0.05 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 1bu7 s PHE 331 CO 0.05 -0.30 -0.11 0.45 -1.34 0.00 0.00 175.22 173.96 1bu7 s SER 332 N -2.40 4.27 0.11 1.98 0.15 -1.26 -0.78 113.70 115.77 1bu7 s SER 332 Ca -0.01 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.48 1bu7 s SER 332 Cb 0.01 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1bu7 s SER 332 CO -0.07 0.31 -0.09 -0.76 1.20 0.00 0.00 173.24 173.83 1bu7 s LEU 333 N -1.10 2.47 0.08 3.45 1.43 0.83 -1.01 118.68 124.83 1bu7 s LEU 333 Ca 0.14 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 1bu7 s LEU 333 Cb -0.11 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1bu7 s LEU 333 CO 0.04 -0.33 -0.18 -0.72 0.23 0.00 0.00 176.35 175.39 1bu7 s TYR 334 N -3.02 1.51 -0.10 0.29 1.13 -0.42 -0.70 117.35 116.04 1bu7 s TYR 334 Ca 0.11 -0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 55.06 1bu7 s TYR 334 Cb 0.01 -0.85 -0.03 0.00 -1.10 0.00 0.00 41.96 39.99 1bu7 s TYR 334 CO -0.01 0.12 1.26 0.00 -2.51 0.00 0.00 175.55 174.41 1bu7 s ALA 335 N -1.11 3.58 0.20 9.51 0.00 -0.46 -2.08 121.76 131.39 1bu7 s ALA 335 Ca 0.03 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1bu7 s ALA 335 Cb -0.10 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.57 1bu7 s ALA 335 CO 0.03 -0.98 1.51 0.87 0.00 0.00 0.00 175.76 177.18 1bu7 h LYS 336 N 7.90 0.53 -4.53 0.00 1.57 -1.50 0.16 116.57 120.69 1bu7 h LYS 336 Ca -0.31 -0.33 -0.21 0.00 -1.87 0.00 0.00 60.65 57.92 1bu7 h LYS 336 Cb 1.14 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1bu7 h LYS 336 CO 0.93 0.94 -0.65 -1.21 -0.57 0.00 0.00 179.45 178.88 1bu7 s GLU 337 N -3.98 0.96 0.22 3.15 0.41 -1.26 -4.65 118.70 113.56 1bu7 s GLU 337 Ca -0.07 -1.46 -0.31 0.00 -0.41 0.00 0.00 54.97 52.72 1bu7 s GLU 337 Cb 0.11 0.08 -0.15 0.00 -1.78 0.00 0.00 34.13 32.40 1bu7 s GLU 337 CO 0.84 -0.21 1.17 -0.25 -0.49 0.00 0.00 175.26 176.31 1bu7 n ASP 338 N -0.13 1.61 -3.46 -0.19 9.92 -1.26 -4.08 116.55 118.97 1bu7 n ASP 338 Ca -0.06 1.15 -0.10 0.00 -0.53 0.00 0.00 54.79 55.25 1bu7 n ASP 338 Cb 0.63 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 1bu7 n ASP 338 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1bu7 s THR 339 N -0.43 0.00 -0.16 -3.53 -1.32 -0.47 -4.91 115.64 104.82 1bu7 s THR 339 Ca 0.68 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.14 1bu7 s THR 339 Cb -0.77 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.21 1bu7 s THR 339 CO 0.54 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.18 1bu7 s VAL 340 N -3.40 3.36 -0.13 5.08 1.01 -1.26 -0.07 120.40 124.99 1bu7 s VAL 340 Ca 0.03 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1bu7 s VAL 340 Cb -0.01 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1bu7 s VAL 340 CO -0.11 0.49 0.49 -0.22 0.00 0.00 0.00 175.10 175.74 1bu7 s LEU 341 N 0.70 4.26 -2.01 3.92 2.96 0.15 -4.18 118.68 124.48 1bu7 s LEU 341 Ca -0.04 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1bu7 s LEU 341 Cb -0.15 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1bu7 s LEU 341 CO 0.02 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1bu7 n GLY 342 N 3.35 1.80 2.73 7.98 0.00 -1.26 -1.56 105.19 118.23 1bu7 n GLY 342 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1bu7 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bu7 n GLY 343 N -0.33 0.46 0.00 -0.02 0.00 -1.26 -4.80 105.19 99.24 1bu7 n GLY 343 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bu7 n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bu7 n GLU 344 N -1.79 2.36 -3.94 1.61 1.02 -0.78 -3.78 120.64 115.34 1bu7 n GLU 344 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1bu7 n GLU 344 Cb 0.10 -0.71 -0.15 0.00 -0.02 0.00 0.00 31.44 30.66 1bu7 n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1bu7 s TYR 345 N -1.20 3.20 0.13 -0.32 2.02 -0.60 -1.14 117.35 119.43 1bu7 s TYR 345 Ca 0.00 -2.67 -0.31 0.00 -0.37 0.00 0.00 57.07 53.73 1bu7 s TYR 345 Cb 0.00 -2.60 -0.08 0.00 -0.40 0.00 0.00 41.96 38.89 1bu7 s TYR 345 CO 0.00 -0.93 1.35 -1.25 -1.57 0.00 0.00 175.55 173.15 1bu7 s PRO 346 N 1.08 4.35 0.01 -1.71 0.04 -1.26 -0.67 135.00 136.83 1bu7 s PRO 346 Ca 0.11 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1bu7 s PRO 346 Cb -0.19 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1bu7 s PRO 346 CO -0.13 -0.38 -0.20 -0.51 0.04 0.00 0.00 177.00 175.83 1bu7 s LEU 347 N 0.85 2.47 0.09 -3.56 1.43 0.90 -4.94 118.68 115.92 1bu7 s LEU 347 Ca 0.62 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1bu7 s LEU 347 Cb -0.36 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1bu7 s LEU 347 CO 0.32 0.29 0.35 -1.61 0.23 0.00 0.00 176.35 175.92 1bu7 s GLU 348 N -1.09 3.64 -0.15 1.70 2.02 -1.26 -1.37 118.70 122.19 1bu7 s GLU 348 Ca 0.13 -0.03 -0.42 0.00 0.02 0.00 0.00 54.97 54.67 1bu7 s GLU 348 Cb -0.10 -2.95 -0.20 0.00 0.10 0.00 0.00 34.13 30.98 1bu7 s GLU 348 CO 0.03 0.54 1.26 1.17 0.02 0.00 0.00 175.26 178.28 1bu7 n LYS 349 N 0.56 0.11 0.00 1.61 4.81 -1.26 -0.90 118.16 123.10 1bu7 n LYS 349 Ca -0.06 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1bu7 n LYS 349 Cb 0.52 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1bu7 n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bu7 n GLY 350 N 2.37 3.31 3.78 3.14 0.00 0.56 -4.94 105.19 113.41 1bu7 n GLY 350 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1bu7 n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bu7 s ASP 351 N -0.65 6.48 0.00 1.61 1.01 -0.08 -4.56 116.67 120.48 1bu7 s ASP 351 Ca 0.00 2.94 -0.17 0.00 0.71 0.00 0.00 52.55 56.02 1bu7 s ASP 351 Cb 0.00 -2.66 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 1bu7 s ASP 351 CO 0.00 -0.77 0.48 -0.70 0.21 0.00 0.00 175.17 174.40 1bu7 s GLU 352 N -1.97 4.11 -0.01 8.23 2.12 -1.26 -1.36 118.70 128.56 1bu7 s GLU 352 Ca 0.52 0.55 0.07 0.00 0.36 0.00 0.00 54.97 56.47 1bu7 s GLU 352 Cb -0.44 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1bu7 s GLU 352 CO 0.60 0.56 -0.24 -0.51 -0.54 0.00 0.00 175.26 175.13 1bu7 s LEU 353 N -0.73 2.22 -0.17 2.70 1.43 0.13 -1.75 118.68 122.50 1bu7 s LEU 353 Ca 0.26 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1bu7 s LEU 353 Cb -0.17 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.68 1bu7 s LEU 353 CO 0.15 0.31 -0.18 -0.04 0.23 0.00 0.00 176.35 176.82 1bu7 s MET 354 N -0.78 3.09 -0.34 1.70 -1.94 0.56 -0.12 119.30 121.47 1bu7 s MET 354 Ca 0.11 -0.79 -0.24 0.00 -1.71 0.00 0.00 55.69 53.05 1bu7 s MET 354 Cb -0.10 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.14 1bu7 s MET 354 CO 0.00 -0.12 0.84 0.08 -0.01 0.00 0.00 175.02 175.81 1bu7 s VAL 355 N 1.11 4.71 -0.83 -6.03 1.01 0.04 -0.74 120.40 119.67 1bu7 s VAL 355 Ca 0.00 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 1bu7 s VAL 355 Cb -0.14 -4.23 0.15 0.00 0.00 0.00 0.00 36.38 32.16 1bu7 s VAL 355 CO -0.07 -0.38 0.95 -0.22 0.00 0.00 0.00 175.10 175.39 1bu7 s LEU 356 N 3.17 5.50 0.23 3.92 2.96 -0.61 -2.76 118.68 131.09 1bu7 s LEU 356 Ca 0.34 -2.04 -0.08 0.00 -0.22 0.00 0.00 54.13 52.14 1bu7 s LEU 356 Cb -0.13 -2.34 0.22 0.00 0.50 0.00 0.00 46.19 44.44 1bu7 s LEU 356 CO 0.15 -0.97 1.91 0.40 -1.32 0.00 0.00 176.35 176.52 1bu7 h ILE 357 N 5.59 1.23 -0.28 6.68 2.04 -1.58 -1.26 117.51 129.93 1bu7 h ILE 357 Ca 0.04 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1bu7 h ILE 357 Cb 1.04 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1bu7 h ILE 357 CO 1.02 0.22 0.18 -0.65 0.00 0.00 0.00 178.15 178.92 1bu7 h PRO 358 N 1.22 0.37 -0.09 2.37 0.11 -1.88 -1.80 132.00 132.28 1bu7 h PRO 358 Ca 0.33 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.24 1bu7 h PRO 358 Cb -0.13 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 30.91 1bu7 h PRO 358 CO -0.08 0.25 -0.64 1.96 -0.21 0.00 0.00 178.00 179.28 1bu7 h GLN 359 N 0.38 0.60 -0.74 1.05 1.08 -1.60 -3.07 115.11 112.80 1bu7 h GLN 359 Ca 0.10 -0.52 0.15 0.00 -1.45 0.00 0.00 58.65 56.93 1bu7 h GLN 359 Cb -0.03 0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 27.42 1bu7 h GLN 359 CO -0.02 1.14 0.25 1.25 -0.95 0.00 0.00 178.83 180.50 1bu7 h LEU 360 N 0.23 0.17 0.00 1.46 5.85 -0.92 -0.89 115.31 121.20 1bu7 h LEU 360 Ca -0.05 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1bu7 h LEU 360 Cb 1.30 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1bu7 h LEU 360 CO 0.13 0.04 0.00 1.41 -0.34 0.00 0.00 178.44 179.68 1bu7 n HIS 361 N -5.07 0.00 -0.73 1.25 8.25 -0.71 -1.78 115.22 116.43 1bu7 n HIS 361 Ca 0.14 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.67 1bu7 n HIS 361 Cb 0.44 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.69 1bu7 n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bu7 n ARG 362 N -1.01 2.27 -2.16 -0.41 1.74 -0.35 -4.87 116.66 111.88 1bu7 n ARG 362 Ca 0.19 -2.38 -0.42 0.00 -0.77 0.00 0.00 57.85 54.47 1bu7 n ARG 362 Cb 0.09 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1bu7 n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1bu7 s ASP 363 N -2.02 5.88 0.55 0.55 -1.08 -0.74 -4.88 116.67 114.95 1bu7 s ASP 363 Ca 0.28 0.77 0.35 0.00 -0.52 0.00 0.00 52.55 53.43 1bu7 s ASP 363 Cb 0.22 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.69 1bu7 s ASP 363 CO 0.06 -1.81 2.04 0.11 0.52 0.00 0.00 175.17 176.08 1bu7 h LYS 364 N 12.56 0.00 0.00 4.34 1.57 -1.91 -0.89 116.57 132.23 1bu7 h LYS 364 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1bu7 h LYS 364 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1bu7 h LYS 364 CO 1.12 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 181.79 1bu7 h THR 365 N 0.00 0.00 0.00 -0.16 1.35 -1.90 -1.67 112.91 110.53 1bu7 h THR 365 Ca 0.00 -0.33 -0.43 0.00 -0.55 0.00 0.00 66.41 65.11 1bu7 h THR 365 Cb 0.40 1.14 -0.06 0.00 -1.73 0.00 0.00 68.15 67.90 1bu7 h THR 365 CO 0.00 0.00 -2.33 -0.38 -0.25 0.00 0.00 175.52 172.56 1bu7 n ILE 366 N -2.40 1.53 0.97 6.82 2.08 -0.44 -4.72 119.36 123.20 1bu7 n ILE 366 Ca 0.02 -0.33 0.11 0.00 0.56 0.00 0.00 62.75 63.11 1bu7 n ILE 366 Cb 0.28 -1.89 -0.01 0.00 -0.75 0.00 0.00 39.64 37.26 1bu7 n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1bu7 n TRP 367 N -4.24 0.00 0.00 1.39 7.02 -0.59 -5.01 117.44 116.00 1bu7 n TRP 367 Ca -0.51 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.97 1bu7 n TRP 367 Cb 0.86 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.75 1bu7 n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1bu7 n GLY 368 N 1.40 0.04 0.06 6.99 0.00 -0.63 -4.60 105.19 108.44 1bu7 n GLY 368 Ca 0.09 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1bu7 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bu7 n ASP 369 N -0.27 0.53 -1.89 1.61 8.00 -1.26 -3.94 116.55 119.32 1bu7 n ASP 369 Ca 0.00 0.40 -0.16 0.00 0.71 0.00 0.00 54.79 55.73 1bu7 n ASP 369 Cb 0.00 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.69 1bu7 n ASP 369 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1bu7 n ASP 370 N -1.94 6.45 0.32 -2.24 5.75 -1.26 -4.64 116.55 118.99 1bu7 n ASP 370 Ca 0.06 -3.06 0.21 0.00 -0.01 0.00 0.00 54.79 52.00 1bu7 n ASP 370 Cb 0.40 -1.06 1.10 0.00 -1.03 0.00 0.00 41.12 40.53 1bu7 n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1bu7 h VAL 371 N 1.00 0.02 -0.01 2.12 -1.51 -1.86 -1.66 116.25 114.36 1bu7 h VAL 371 Ca 0.29 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 1bu7 h VAL 371 Cb 0.91 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1bu7 h VAL 371 CO 0.75 0.00 -0.23 -0.62 -1.23 0.00 0.00 177.57 176.24 1bu7 n GLU 372 N -3.11 0.65 -3.00 5.19 -0.58 -1.26 -4.87 120.64 113.65 1bu7 n GLU 372 Ca -0.02 -0.33 -0.37 0.00 -0.42 0.00 0.00 57.16 56.02 1bu7 n GLU 372 Cb 0.12 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 1bu7 n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1bu7 s GLU 373 N -2.58 4.40 -0.63 3.49 0.41 -0.63 -5.01 118.70 118.15 1bu7 s GLU 373 Ca 0.24 1.04 -0.25 0.00 -0.41 0.00 0.00 54.97 55.59 1bu7 s GLU 373 Cb 0.19 -2.96 0.05 0.00 -1.78 0.00 0.00 34.13 29.63 1bu7 s GLU 373 CO 0.53 0.42 1.05 0.12 -0.49 0.00 0.00 175.26 176.88 1bu7 s PHE 374 N -1.44 2.62 -0.41 1.61 5.36 -1.26 -4.97 117.98 119.49 1bu7 s PHE 374 Ca 0.42 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1bu7 s PHE 374 Cb -0.19 -4.31 0.14 0.00 -0.34 0.00 0.00 43.02 38.32 1bu7 s PHE 374 CO 0.23 -1.64 0.23 0.50 -1.46 0.00 0.00 175.22 173.08 1bu7 s ARG 375 N 4.47 1.03 0.53 10.12 3.52 -1.26 -4.99 118.95 132.38 1bu7 s ARG 375 Ca 0.29 -1.78 0.25 0.00 -0.13 0.00 0.00 55.73 54.36 1bu7 s ARG 375 Cb -0.13 -1.97 1.40 0.00 -1.56 0.00 0.00 34.95 32.69 1bu7 s ARG 375 CO 0.15 -1.18 2.00 -1.35 -0.81 0.00 0.00 175.30 174.11 1bu7 h PRO 376 N 6.80 0.00 0.00 5.12 0.11 -1.93 -1.95 132.00 140.14 1bu7 h PRO 376 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1bu7 h PRO 376 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1bu7 h PRO 376 CO 0.41 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 1bu7 n GLU 377 N -4.35 0.11 0.04 1.05 4.71 -1.26 -1.24 120.64 119.70 1bu7 n GLU 377 Ca 0.09 0.56 0.22 0.00 -0.01 0.00 0.00 57.16 58.02 1bu7 n GLU 377 Cb 0.59 -1.83 0.73 0.00 -1.01 0.00 0.00 31.44 29.91 1bu7 n GLU 377 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bu7 h ARG 378 N 0.00 0.00 -0.65 3.49 3.08 -1.76 -1.03 114.38 117.52 1bu7 h ARG 378 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bu7 h ARG 378 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1bu7 h ARG 378 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 1bu7 n PHE 379 N -3.84 1.21 0.03 3.04 3.72 -0.37 -4.51 117.46 116.73 1bu7 n PHE 379 Ca 0.09 -0.57 -0.01 0.00 -0.05 0.00 0.00 57.45 56.92 1bu7 n PHE 379 Cb 0.69 -0.14 0.29 0.00 -0.94 0.00 0.00 39.48 39.37 1bu7 n PHE 379 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1bu7 h GLU 380 N 3.94 0.44 -3.66 -1.08 4.57 -1.32 -3.36 114.58 114.11 1bu7 h GLU 380 Ca 0.00 -0.12 -0.61 0.00 -1.18 0.00 0.00 59.36 57.45 1bu7 h GLU 380 Cb 1.23 -0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 29.37 1bu7 h GLU 380 CO 0.13 0.56 -0.73 1.21 -1.18 0.00 0.00 179.01 179.00 1bu7 s ASN 381 N -6.79 4.13 0.24 1.04 2.47 -1.26 -5.01 114.94 109.76 1bu7 s ASN 381 Ca -0.07 -2.15 -0.04 0.00 0.42 0.00 0.00 52.86 51.02 1bu7 s ASN 381 Cb 0.15 -1.16 0.43 0.00 -1.45 0.00 0.00 41.25 39.21 1bu7 s ASN 381 CO 0.77 -0.35 1.78 1.55 -3.72 0.00 0.00 177.10 177.12 1bu7 h PRO 382 N 7.47 0.63 -0.07 0.43 0.13 -1.91 0.15 132.00 138.83 1bu7 h PRO 382 Ca -0.07 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1bu7 h PRO 382 Cb 0.98 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1bu7 h PRO 382 CO 0.50 0.42 0.10 0.77 -0.23 0.00 0.00 178.00 179.56 1bu7 h SER 383 N 0.65 0.00 0.38 1.44 0.02 -1.96 0.18 113.55 114.26 1bu7 h SER 383 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1bu7 h SER 383 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1bu7 h SER 383 CO -0.30 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.39 1bu7 n ALA 384 N -2.27 1.79 -2.65 3.77 0.00 0.51 -4.65 120.51 117.00 1bu7 n ALA 384 Ca -0.01 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1bu7 n ALA 384 Cb 0.19 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1bu7 n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bu7 s ILE 385 N -2.75 5.00 0.56 0.00 -1.09 0.63 -5.03 121.20 118.52 1bu7 s ILE 385 Ca 0.12 1.20 -0.21 0.00 -2.23 0.00 0.00 60.65 59.53 1bu7 s ILE 385 Cb 0.10 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1bu7 s ILE 385 CO 0.25 0.09 1.28 -2.84 -1.23 0.00 0.00 174.94 172.48 1bu7 s PRO 386 N 2.07 3.13 0.32 2.79 0.02 -1.26 -4.94 135.00 137.13 1bu7 s PRO 386 Ca 0.29 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 1bu7 s PRO 386 Cb -0.16 -2.14 -0.13 0.00 0.02 0.00 0.00 34.50 32.09 1bu7 s PRO 386 CO 0.10 -1.13 1.27 0.94 -0.33 0.00 0.00 177.00 177.85 1bu7 n GLN 387 N -1.19 2.01 -1.60 5.54 7.27 -1.26 -2.13 117.38 126.02 1bu7 n GLN 387 Ca 0.11 0.71 -0.17 0.00 0.07 0.00 0.00 57.00 57.72 1bu7 n GLN 387 Cb 0.47 -2.27 -0.07 0.00 2.41 0.00 0.00 30.24 30.78 1bu7 n GLN 387 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1bu7 n HIS 388 N 0.58 -0.10 -0.01 3.69 8.25 -1.26 -4.86 115.22 121.51 1bu7 n HIS 388 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.48 1bu7 n HIS 388 Cb 0.35 -3.00 -0.12 0.00 1.12 0.00 0.00 29.99 28.34 1bu7 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bu7 n ALA 389 N 0.94 1.73 -3.92 -1.41 0.00 -0.91 -4.65 120.51 112.30 1bu7 n ALA 389 Ca -0.17 -0.73 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1bu7 n ALA 389 Cb 0.57 -0.82 -0.16 0.00 0.00 0.00 0.00 19.45 19.05 1bu7 n ALA 389 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1bu7 s PHE 390 N -2.76 2.32 -0.34 0.00 5.36 -1.26 -4.54 117.98 116.76 1bu7 s PHE 390 Ca -0.05 -1.74 0.16 0.00 -0.96 0.00 0.00 56.93 54.34 1bu7 s PHE 390 Cb 0.08 -1.59 0.45 0.00 -0.34 0.00 0.00 43.02 41.62 1bu7 s PHE 390 CO 0.82 -0.77 0.98 1.63 -1.46 0.00 0.00 175.22 176.42 1bu7 n LYS 391 N 4.69 1.60 0.06 10.12 5.02 -1.26 -4.90 118.16 133.50 1bu7 n LYS 391 Ca -0.11 -3.50 0.10 0.00 -2.02 0.00 0.00 58.31 52.78 1bu7 n LYS 391 Cb 0.44 -1.45 0.43 0.00 -0.02 0.00 0.00 35.03 34.43 1bu7 n LYS 391 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bu7 n PRO 392 N -0.15 0.10 -0.62 1.97 -0.04 -1.26 -2.39 135.00 132.61 1bu7 n PRO 392 Ca 0.15 0.28 0.05 0.00 -0.04 0.00 0.00 63.50 63.94 1bu7 n PRO 392 Cb 0.79 -1.67 0.28 0.00 -0.04 0.00 0.00 33.50 32.86 1bu7 n PRO 392 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bu7 n PHE 393 N -1.86 1.31 -4.05 0.54 3.72 -1.26 -4.73 117.46 111.13 1bu7 n PHE 393 Ca 0.04 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 1bu7 n PHE 393 Cb 0.24 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1bu7 n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bu7 n GLY 394 N -0.37 -1.20 2.93 1.37 0.00 -1.01 -0.52 105.19 106.39 1bu7 n GLY 394 Ca 0.26 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 1bu7 n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bu7 s ASN 395 N -4.00 0.60 1.26 1.61 3.84 -1.26 -4.82 114.94 112.17 1bu7 s ASN 395 Ca 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 52.86 52.98 1bu7 s ASN 395 Cb 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 41.25 40.57 1bu7 s ASN 395 CO 0.00 0.03 0.00 0.61 -2.79 0.00 0.00 177.10 174.95 1bu7 n GLY 396 N 3.23 3.09 0.12 1.21 0.00 -1.26 -1.59 105.19 110.00 1bu7 n GLY 396 Ca -0.16 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1bu7 n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bu7 n GLN 397 N 14.00 0.22 -0.66 1.61 10.64 -1.26 -1.88 117.38 140.05 1bu7 n GLN 397 Ca 0.00 0.37 0.09 0.00 -1.83 0.00 0.00 57.00 55.63 1bu7 n GLN 397 Cb 0.00 -1.86 0.36 0.00 -0.86 0.00 0.00 30.24 27.88 1bu7 n GLN 397 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1bu7 n ARG 398 N -2.25 3.95 -1.07 2.61 5.12 -0.89 -4.97 116.66 119.15 1bu7 n ARG 398 Ca 0.03 -2.93 -0.30 0.00 -1.93 0.00 0.00 57.85 52.72 1bu7 n ARG 398 Cb 0.28 -1.96 0.15 0.00 -1.16 0.00 0.00 32.46 29.77 1bu7 n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bu7 s ALA 399 N -2.11 1.39 0.08 7.54 0.00 -0.62 -4.45 121.76 123.59 1bu7 s ALA 399 Ca 0.51 0.06 -0.33 0.00 0.00 0.00 0.00 51.96 52.20 1bu7 s ALA 399 Cb 0.35 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 1bu7 s ALA 399 CO 0.21 -2.51 1.78 0.00 0.00 0.00 0.00 175.76 175.24 1bu7 h ILE 401 N 4.57 0.00 -0.21 0.00 2.10 -1.91 -3.17 117.51 118.89 1bu7 h ILE 401 Ca -0.46 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 64.75 1bu7 h ILE 401 Cb 1.24 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 38.68 1bu7 h ILE 401 CO 0.93 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.61 1bu7 n GLY 402 N 0.68 0.13 0.25 8.18 0.00 -1.26 -4.57 105.19 108.59 1bu7 n GLY 402 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1bu7 n GLY 402 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bu7 h GLN 403 N 1.61 0.55 -0.31 1.61 4.15 -1.89 0.10 115.11 120.92 1bu7 h GLN 403 Ca 0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 1bu7 h GLN 403 Cb 0.36 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1bu7 h GLN 403 CO 0.00 0.36 -0.33 1.96 -1.93 0.00 0.00 178.83 178.89 1bu7 h GLN 404 N 0.57 0.69 0.25 1.69 7.50 -1.80 -1.35 115.11 122.65 1bu7 h GLN 404 Ca 0.30 -0.32 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1bu7 h GLN 404 Cb 0.26 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.79 1bu7 h GLN 404 CO -0.23 0.93 -0.12 0.35 -1.50 0.00 0.00 178.83 178.26 1bu7 h PHE 405 N 0.58 -0.31 -0.22 2.96 3.04 -1.63 0.05 116.94 121.42 1bu7 h PHE 405 Ca 0.06 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.04 1bu7 h PHE 405 Cb 0.85 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 1bu7 h PHE 405 CO 0.04 -0.06 -0.01 0.00 -2.02 0.00 0.00 178.31 176.26 1bu7 h ALA 406 N 0.18 0.18 -0.01 2.41 0.00 -0.96 -1.14 119.26 119.92 1bu7 h ALA 406 Ca -0.03 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1bu7 h ALA 406 Cb 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1bu7 h ALA 406 CO 0.06 -0.44 -0.72 -0.07 0.00 0.00 0.00 179.25 178.08 1bu7 h LEU 407 N 0.05 0.06 -0.26 0.00 3.38 -1.20 -0.42 115.31 116.93 1bu7 h LEU 407 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1bu7 h LEU 407 Cb 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1bu7 h LEU 407 CO -0.19 0.76 -0.02 -0.74 0.09 0.00 0.00 178.44 178.34 1bu7 h HIS 408 N 0.03 0.52 0.05 1.13 2.76 -0.77 -0.45 115.15 118.41 1bu7 h HIS 408 Ca -0.01 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1bu7 h HIS 408 Cb 1.28 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.07 1bu7 h HIS 408 CO 0.01 0.65 -0.21 1.49 -1.30 0.00 0.00 177.93 178.57 1bu7 h GLU 409 N 0.24 -0.34 -0.32 5.26 4.81 -1.15 -1.00 114.58 122.08 1bu7 h GLU 409 Ca 0.07 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1bu7 h GLU 409 Cb 0.46 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1bu7 h GLU 409 CO 0.02 -0.23 -0.25 0.00 -0.73 0.00 0.00 179.01 177.82 1bu7 h ALA 410 N 0.49 0.97 -0.38 2.92 0.00 -1.00 -0.77 119.26 121.50 1bu7 h ALA 410 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1bu7 h ALA 410 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bu7 h ALA 410 CO -0.16 0.60 -0.14 1.15 0.00 0.00 0.00 179.25 180.70 1bu7 h THR 411 N 0.55 1.28 -0.19 0.00 2.02 -0.98 -1.13 112.91 114.45 1bu7 h THR 411 Ca 0.08 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1bu7 h THR 411 Cb 0.72 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1bu7 h THR 411 CO 0.06 0.42 0.10 0.25 0.37 0.00 0.00 175.52 176.71 1bu7 h LEU 412 N 0.57 0.25 -0.15 2.58 5.85 -0.85 -1.69 115.31 121.88 1bu7 h LEU 412 Ca 0.09 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1bu7 h LEU 412 Cb 0.68 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1bu7 h LEU 412 CO 0.05 0.29 -0.24 0.58 -0.34 0.00 0.00 178.44 178.78 1bu7 h VAL 413 N 0.19 1.36 -0.38 1.05 2.07 -1.10 -0.74 116.25 118.70 1bu7 h VAL 413 Ca 0.07 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.01 1bu7 h VAL 413 Cb 0.10 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1bu7 h VAL 413 CO -0.01 0.44 -0.20 0.25 0.02 0.00 0.00 177.57 178.07 1bu7 h LEU 414 N 0.04 0.73 -0.12 2.57 5.85 -1.25 0.05 115.31 123.18 1bu7 h LEU 414 Ca 0.01 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1bu7 h LEU 414 Cb 0.81 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1bu7 h LEU 414 CO 0.05 0.92 -0.02 1.23 -0.34 0.00 0.00 178.44 180.28 1bu7 h GLY 415 N 0.98 0.09 1.20 3.75 0.00 -1.18 -1.33 103.07 106.58 1bu7 h GLY 415 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 1bu7 h GLY 415 CO 0.05 -0.04 0.04 -0.33 0.00 0.00 0.00 176.54 176.26 1bu7 h MET 416 N 0.01 0.97 -0.55 4.80 2.86 -0.77 -0.99 114.93 121.26 1bu7 h MET 416 Ca 0.06 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1bu7 h MET 416 Cb 0.08 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1bu7 h MET 416 CO -0.12 0.93 0.29 0.52 1.06 0.00 0.00 176.91 179.60 1bu7 h MET 417 N 0.90 0.55 0.00 1.72 2.07 -0.75 -1.46 114.93 117.96 1bu7 h MET 417 Ca 0.17 -0.03 -0.13 0.00 -2.07 0.00 0.00 59.70 57.64 1bu7 h MET 417 Cb 0.48 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 1bu7 h MET 417 CO 0.02 0.37 -0.60 -0.07 1.07 0.00 0.00 176.91 177.70 1bu7 h LEU 418 N 0.57 0.00 -0.42 1.22 3.38 -1.06 -2.32 115.31 116.67 1bu7 h LEU 418 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1bu7 h LEU 418 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1bu7 h LEU 418 CO -0.15 0.60 -0.29 0.50 0.09 0.00 0.00 178.44 179.19 1bu7 h LYS 419 N 0.00 0.94 0.00 1.13 3.64 -0.79 -3.38 116.57 118.11 1bu7 h LYS 419 Ca -0.01 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1bu7 h LYS 419 Cb 1.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1bu7 h LYS 419 CO 0.08 1.11 -1.76 0.72 -2.27 0.00 0.00 179.45 177.33 1bu7 n HIS 420 N -4.11 0.04 -4.04 1.91 8.25 -0.59 -4.84 115.22 111.84 1bu7 n HIS 420 Ca -0.01 0.01 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1bu7 n HIS 420 Cb 0.50 -0.42 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 1bu7 n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1bu7 s PHE 421 N -3.41 0.52 0.23 4.41 0.08 -0.89 -0.48 117.98 118.44 1bu7 s PHE 421 Ca -0.05 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.37 1bu7 s PHE 421 Cb 0.14 -0.33 -0.06 0.00 -0.57 0.00 0.00 43.02 42.20 1bu7 s PHE 421 CO 0.90 -0.14 0.51 -0.51 -0.10 0.00 0.00 175.22 175.87 1bu7 s ASP 422 N -1.70 6.52 0.02 1.36 1.01 -0.07 -4.63 116.67 119.18 1bu7 s ASP 422 Ca -0.10 0.76 0.09 0.00 0.71 0.00 0.00 52.55 54.00 1bu7 s ASP 422 Cb -0.08 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1bu7 s ASP 422 CO -0.01 -0.09 -0.26 -0.36 0.21 0.00 0.00 175.17 174.66 1bu7 s PHE 423 N -1.89 2.27 -0.11 4.23 0.08 -1.26 -0.13 117.98 121.17 1bu7 s PHE 423 Ca 0.44 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.11 1bu7 s PHE 423 Cb -0.11 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 1bu7 s PHE 423 CO 0.25 0.07 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.23 1bu7 s GLU 424 N -1.03 2.83 -1.39 0.44 2.12 0.11 -4.99 118.70 116.79 1bu7 s GLU 424 Ca 0.11 -0.79 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 1bu7 s GLU 424 Cb -0.10 -2.23 0.06 0.00 0.26 0.00 0.00 34.13 32.13 1bu7 s GLU 424 CO 0.01 0.06 2.03 -3.47 -0.54 0.00 0.00 175.26 173.36 1bu7 n ASP 425 N 3.83 4.33 0.25 -1.70 2.03 -1.26 -1.76 116.55 122.27 1bu7 n ASP 425 Ca -0.20 -2.89 0.17 0.00 0.52 0.00 0.00 54.79 52.40 1bu7 n ASP 425 Cb 0.52 -1.67 0.78 0.00 -0.72 0.00 0.00 41.12 40.03 1bu7 n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1bu7 h HIS 426 N 6.48 0.00 -0.11 -0.67 2.07 -1.93 -2.48 115.15 118.51 1bu7 h HIS 426 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 1bu7 h HIS 426 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 1bu7 h HIS 426 CO 1.42 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 176.53 1bu7 n THR 427 N -2.84 0.20 -3.69 6.12 -2.24 -1.26 -4.99 114.28 105.58 1bu7 n THR 427 Ca -0.00 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 1bu7 n THR 427 Cb 0.20 1.16 0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1bu7 n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bu7 n ASN 428 N 0.89 -5.37 -4.75 3.42 2.85 -0.94 -4.79 115.26 106.58 1bu7 n ASN 428 Ca 0.11 -0.96 -0.41 0.00 -0.11 0.00 0.00 54.58 53.20 1bu7 n ASN 428 Cb 0.41 -3.11 -0.02 0.00 1.24 0.00 0.00 39.78 38.31 1bu7 n ASN 428 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1bu7 s TYR 429 N -3.36 2.95 -0.31 1.20 5.04 -1.26 -4.97 117.35 116.64 1bu7 s TYR 429 Ca 0.37 1.02 -0.16 0.00 -2.44 0.00 0.00 57.07 55.86 1bu7 s TYR 429 Cb -0.14 -3.86 -0.02 0.00 0.35 0.00 0.00 41.96 38.28 1bu7 s TYR 429 CO 0.87 -2.78 0.40 -2.00 -1.34 0.00 0.00 175.55 170.71 1bu7 s GLU 430 N -0.59 3.76 0.05 4.97 2.12 -1.26 -5.03 118.70 122.72 1bu7 s GLU 430 Ca 0.59 -0.17 -0.34 0.00 0.36 0.00 0.00 54.97 55.40 1bu7 s GLU 430 Cb -0.43 -3.75 -0.13 0.00 0.26 0.00 0.00 34.13 30.08 1bu7 s GLU 430 CO 0.46 -0.45 1.69 -0.11 -0.54 0.00 0.00 175.26 176.30 1bu7 n LEU 431 N 5.45 3.15 -3.72 2.70 7.94 -1.26 -4.96 117.00 126.30 1bu7 n LEU 431 Ca -0.08 1.04 -0.28 0.00 -1.11 0.00 0.00 56.01 55.59 1bu7 n LEU 431 Cb 0.50 -1.39 -0.16 0.00 0.53 0.00 0.00 43.42 42.89 1bu7 n LEU 431 CO 0.40 -0.24 -0.36 -0.62 -1.11 0.00 0.00 177.39 175.47 1bu7 s ASP 432 N 2.14 2.96 -0.35 1.96 -1.08 -1.26 -5.07 116.67 115.98 1bu7 s ASP 432 Ca 0.85 -0.88 -0.14 0.00 -0.52 0.00 0.00 52.55 51.87 1bu7 s ASP 432 Cb -0.70 -0.58 -0.01 0.00 -1.46 0.00 0.00 42.92 40.17 1bu7 s ASP 432 CO 0.44 -0.32 0.28 -0.63 0.52 0.00 0.00 175.17 175.45 1bu7 s ILE 433 N 1.87 5.25 0.10 4.11 1.01 -1.26 0.32 121.20 132.60 1bu7 s ILE 433 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.26 1bu7 s ILE 433 Cb -0.17 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 1bu7 s ILE 433 CO -0.10 -0.05 0.62 -0.75 0.00 0.00 0.00 174.94 174.66 1bu7 s LYS 434 N 1.80 4.30 -0.13 2.79 2.20 -0.12 -4.89 119.74 125.69 1bu7 s LYS 434 Ca 0.07 0.85 0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1bu7 s LYS 434 Cb -0.17 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1bu7 s LYS 434 CO 0.11 0.62 -0.19 -1.21 -0.36 0.00 0.00 175.35 174.32 1bu7 s GLU 435 N -1.13 3.18 0.00 4.03 2.02 -1.26 -1.94 118.70 123.60 1bu7 s GLU 435 Ca 0.31 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1bu7 s GLU 435 Cb -0.20 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1bu7 s GLU 435 CO 0.21 0.13 0.00 0.25 0.02 0.00 0.00 175.26 175.86 1bu7 n THR 436 N 3.72 0.00 0.17 3.63 -2.24 -1.26 -4.92 114.28 113.37 1bu7 n THR 436 Ca -0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.63 1bu7 n THR 436 Cb 0.52 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.21 1bu7 n THR 436 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1bu7 h LEU 437 N 0.00 0.13 0.00 3.22 5.85 -1.97 -3.47 115.31 119.07 1bu7 h LEU 437 Ca 0.00 -0.02 -0.53 0.00 0.84 0.00 0.00 57.88 58.17 1bu7 h LEU 437 Cb 0.00 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 40.87 1bu7 h LEU 437 CO 0.00 0.28 -0.46 0.35 -0.34 0.00 0.00 178.44 178.26 1bu7 n THR 438 N -4.32 0.00 -4.59 1.05 -2.24 -1.26 -4.76 114.28 98.17 1bu7 n THR 438 Ca -0.01 -2.38 -0.33 0.00 -2.27 0.00 0.00 64.05 59.05 1bu7 n THR 438 Cb 0.24 0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 1bu7 n THR 438 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bu7 s LEU 439 N 0.00 3.13 -0.08 3.22 1.43 -0.74 -4.29 118.68 121.35 1bu7 s LEU 439 Ca 0.26 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 1bu7 s LEU 439 Cb 0.01 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.56 1bu7 s LEU 439 CO 0.19 0.33 0.53 -1.59 0.23 0.00 0.00 176.35 176.04 1bu7 s LYS 440 N -1.03 0.83 -0.94 1.70 -2.85 -0.82 -4.63 119.74 112.01 1bu7 s LYS 440 Ca 0.14 0.25 -0.24 0.00 -1.00 0.00 0.00 55.97 55.12 1bu7 s LYS 440 Cb -0.11 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1bu7 s LYS 440 CO 0.04 -0.22 1.62 -1.25 0.10 0.00 0.00 175.35 175.64 1bu7 s PRO 441 N -0.86 3.16 0.33 1.78 0.04 -1.26 -0.94 135.00 137.26 1bu7 s PRO 441 Ca -0.09 -0.69 -0.29 0.00 0.04 0.00 0.00 61.00 59.98 1bu7 s PRO 441 Cb -0.03 -5.12 -0.10 0.00 0.04 0.00 0.00 34.50 29.29 1bu7 s PRO 441 CO 0.06 -2.62 1.37 -2.00 0.04 0.00 0.00 177.00 173.84 1bu7 s GLU 442 N 5.82 4.28 0.00 4.56 2.12 0.15 -2.52 118.70 133.11 1bu7 s GLU 442 Ca 0.54 2.32 0.00 0.00 0.36 0.00 0.00 54.97 58.19 1bu7 s GLU 442 Cb -0.03 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1bu7 s GLU 442 CO -0.03 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 1bu7 n GLY 443 N 0.89 0.34 3.65 -1.50 0.00 -1.26 -4.50 105.19 102.81 1bu7 n GLY 443 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1bu7 n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bu7 s PHE 444 N -1.79 1.51 0.05 1.61 5.36 -1.05 -4.99 117.98 118.70 1bu7 s PHE 444 Ca 0.00 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1bu7 s PHE 444 Cb 0.00 -4.10 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 1bu7 s PHE 444 CO 0.00 -4.75 -0.10 0.14 -1.46 0.00 0.00 175.22 169.05 1bu7 s VAL 445 N 4.83 0.73 0.16 3.12 -7.23 -1.26 -1.65 120.40 119.09 1bu7 s VAL 445 Ca 0.84 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.78 1bu7 s VAL 445 Cb -0.38 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 1bu7 s VAL 445 CO 0.37 -0.34 0.23 0.68 -0.31 0.00 0.00 175.10 175.73 1bu7 s VAL 446 N -1.37 0.07 -0.06 1.32 -7.23 -0.99 -4.65 120.40 107.49 1bu7 s VAL 446 Ca -0.07 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1bu7 s VAL 446 Cb -0.10 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1bu7 s VAL 446 CO 0.01 -0.33 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.81 1bu7 s LYS 447 N -3.99 2.63 0.04 4.82 1.02 -0.73 -0.70 119.74 122.84 1bu7 s LYS 447 Ca 0.19 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.56 1bu7 s LYS 447 Cb 0.04 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1bu7 s LYS 447 CO 0.00 0.63 0.04 0.00 -0.92 0.00 0.00 175.35 175.10 1bu7 s ALA 448 N -0.73 3.43 -0.22 5.17 0.00 -1.26 0.10 121.76 128.25 1bu7 s ALA 448 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1bu7 s ALA 448 Cb -0.11 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.66 1bu7 s ALA 448 CO 0.01 0.70 -0.13 0.15 0.00 0.00 0.00 175.76 176.49 1bu7 s LYS 449 N -2.01 2.78 0.29 0.00 -0.14 0.82 -4.95 119.74 116.53 1bu7 s LYS 449 Ca 0.25 -0.99 -0.29 0.00 -1.36 0.00 0.00 55.97 53.57 1bu7 s LYS 449 Cb -0.12 -2.80 -0.10 0.00 -1.68 0.00 0.00 37.83 33.13 1bu7 s LYS 449 CO 0.16 -0.36 1.41 0.45 -0.76 0.00 0.00 175.35 176.25 1bu7 s SER 450 N 1.27 6.65 0.00 2.83 0.15 -1.26 -0.89 113.70 122.44 1bu7 s SER 450 Ca 0.00 2.72 0.18 0.00 0.70 0.00 0.00 55.95 59.55 1bu7 s SER 450 Cb -0.16 -2.64 0.90 0.00 -1.71 0.00 0.00 66.02 62.42 1bu7 s SER 450 CO -0.08 -0.67 1.61 0.29 1.20 0.00 0.00 173.24 175.59 1bu7 n LYS 451 N 1.65 1.29 -2.98 5.44 5.02 0.37 -4.87 118.16 124.09 1bu7 n LYS 451 Ca 0.04 -0.44 -0.19 0.00 -2.02 0.00 0.00 58.31 55.70 1bu7 n LYS 451 Cb 0.41 -1.32 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 1bu7 n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bu7 n LYS 452 N -0.33 -4.56 -3.64 1.97 4.76 -1.26 -4.97 118.16 110.13 1bu7 n LYS 452 Ca 0.14 0.77 -0.39 0.00 -2.87 0.00 0.00 58.31 55.96 1bu7 n LYS 452 Cb 0.17 -5.37 -0.11 0.00 -1.84 0.00 0.00 35.03 27.87 1bu7 n LYS 452 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1bu7 s ILE 453 N -3.11 4.70 0.73 -0.18 1.01 -1.26 -5.08 121.20 118.01 1bu7 s ILE 453 Ca 0.29 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1bu7 s ILE 453 Cb -0.13 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.97 1bu7 s ILE 453 CO 0.36 0.05 1.08 -2.16 0.00 0.00 0.00 174.94 174.26 1bu7 s PRO 454 N 1.63 2.61 0.00 2.79 0.04 -1.26 -5.01 135.00 135.80 1bu7 s PRO 454 Ca 0.05 1.06 0.16 0.00 0.04 0.00 0.00 61.00 62.30 1bu7 s PRO 454 Cb -0.17 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.55 1bu7 s PRO 454 CO 0.07 -1.36 0.99 1.28 0.04 0.00 0.00 177.00 178.02