#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bu9 s VAL 4 N 0.00 3.87 0.62 -3.33 1.01 -1.26 -5.11 120.40 116.21 2bu9 s VAL 4 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2bu9 s VAL 4 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2bu9 s VAL 4 CO 0.00 0.56 1.12 -0.44 0.00 0.00 0.00 175.10 176.35 2bu9 s SER 5 N -0.40 5.29 0.07 3.32 0.01 -1.26 -4.77 113.70 115.96 2bu9 s SER 5 Ca 0.06 2.09 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 2bu9 s SER 5 Cb -0.12 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2bu9 s SER 5 CO 0.02 -1.51 1.10 -0.75 0.41 0.00 0.00 173.24 172.51 2bu9 s LYS 6 N -3.78 4.52 0.47 12.44 2.20 -1.26 -1.40 119.74 132.93 2bu9 s LYS 6 Ca 0.70 1.64 -0.22 0.00 -0.36 0.00 0.00 55.97 57.73 2bu9 s LYS 6 Cb -0.22 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 2bu9 s LYS 6 CO 0.36 -0.09 1.09 0.00 -0.36 0.00 0.00 175.35 176.34 2bu9 s ALA 7 N 0.70 2.91 -0.46 3.13 0.00 -0.01 -4.82 121.76 123.21 2bu9 s ALA 7 Ca 0.54 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 2bu9 s ALA 7 Cb -0.27 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2bu9 s ALA 7 CO 0.30 -0.45 1.39 1.21 0.00 0.00 0.00 175.76 178.21 2bu9 s ASN 8 N -1.70 6.30 -0.39 0.00 2.47 -1.26 -4.77 114.94 115.58 2bu9 s ASN 8 Ca 0.65 0.64 0.01 0.00 0.42 0.00 0.00 52.86 54.58 2bu9 s ASN 8 Cb -0.22 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.17 2bu9 s ASN 8 CO 0.26 -1.50 0.21 -0.69 -3.72 0.00 0.00 177.10 171.66 2bu9 s VAL 9 N 5.53 0.95 0.62 -5.21 1.01 -1.26 -4.55 120.40 117.48 2bu9 s VAL 9 Ca 0.58 -2.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.29 2bu9 s VAL 9 Cb -0.12 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2bu9 s VAL 9 CO 0.31 -0.88 1.10 -2.16 0.00 0.00 0.00 175.10 173.46 2bu9 s PRO 10 N 0.78 3.05 -0.22 2.72 0.04 -1.26 -4.60 135.00 135.51 2bu9 s PRO 10 Ca 0.16 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 2bu9 s PRO 10 Cb -0.23 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2bu9 s PRO 10 CO -0.04 -1.05 0.43 0.15 0.04 0.00 0.00 177.00 176.54 2bu9 s LYS 11 N -3.92 4.14 -0.17 4.56 1.02 -1.26 -0.87 119.74 123.24 2bu9 s LYS 11 Ca 0.67 0.23 -0.00 0.00 0.02 0.00 0.00 55.97 56.89 2bu9 s LYS 11 Cb -0.20 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2bu9 s LYS 11 CO 0.37 -0.14 -0.15 0.42 -0.92 0.00 0.00 175.35 174.93 2bu9 s ILE 12 N 1.64 2.60 -0.41 2.17 1.01 0.40 -4.96 121.20 123.65 2bu9 s ILE 12 Ca 0.20 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 2bu9 s ILE 12 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2bu9 s ILE 12 CO 0.09 0.51 1.53 -0.62 0.00 0.00 0.00 174.94 176.44 2bu9 s ASP 13 N 1.07 6.16 0.00 3.58 -1.08 -1.26 -1.20 116.67 123.94 2bu9 s ASP 13 Ca -0.00 0.89 0.24 0.00 -0.52 0.00 0.00 52.55 53.16 2bu9 s ASP 13 Cb -0.14 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.35 2bu9 s ASP 13 CO -0.04 -1.56 1.47 1.33 0.52 0.00 0.00 175.17 176.89 2bu9 n VAL 14 N 7.16 0.16 -0.16 1.11 0.24 -0.73 -4.50 118.33 121.61 2bu9 n VAL 14 Ca 0.18 -0.46 0.13 0.00 -2.04 0.00 0.00 64.34 62.15 2bu9 n VAL 14 Cb 0.48 0.90 0.48 0.00 -1.47 0.00 0.00 33.84 34.23 2bu9 n VAL 14 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2bu9 h SER 15 N 3.56 0.44 -0.01 -1.34 4.64 -1.74 -0.73 113.55 118.37 2bu9 h SER 15 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2bu9 h SER 15 Cb 0.77 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2bu9 h SER 15 CO 0.00 0.24 0.02 -0.65 -0.87 0.00 0.00 176.83 175.58 2bu9 h PRO 16 N 0.47 0.00 0.00 4.77 0.11 -1.92 -1.92 132.00 133.51 2bu9 h PRO 16 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2bu9 h PRO 16 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2bu9 h PRO 16 CO -0.12 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.95 2bu9 n LEU 17 N -3.26 0.43 -0.06 2.35 4.77 -0.28 -1.71 117.00 119.24 2bu9 n LEU 17 Ca -0.03 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 2bu9 n LEU 17 Cb 0.10 -0.53 0.34 0.00 -2.33 0.00 0.00 43.42 41.00 2bu9 n LEU 17 CO 0.21 -0.41 0.58 0.49 -1.33 0.00 0.00 177.39 176.94 2bu9 n PHE 18 N -1.97 0.00 -2.55 -1.77 3.72 -0.72 -4.78 117.46 109.39 2bu9 n PHE 18 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2bu9 n PHE 18 Cb 0.23 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 2bu9 n PHE 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bu9 n GLY 19 N 1.45 5.96 0.34 1.37 0.00 -0.69 -5.08 105.19 108.53 2bu9 n GLY 19 Ca 0.08 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2bu9 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bu9 n ASP 20 N 0.00 1.69 -4.40 1.61 8.00 -1.26 -4.93 116.55 117.26 2bu9 n ASP 20 Ca 0.00 -2.96 -0.44 0.00 0.71 0.00 0.00 54.79 52.10 2bu9 n ASP 20 Cb 0.00 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 2bu9 n ASP 20 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bu9 s ASP 21 N -2.52 6.18 0.17 -2.24 -1.08 -1.26 -4.94 116.67 110.98 2bu9 s ASP 21 Ca 0.27 -1.26 -0.11 0.00 -0.52 0.00 0.00 52.55 50.93 2bu9 s ASP 21 Cb 0.25 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 39.42 2bu9 s ASP 21 CO -0.01 -1.24 1.65 1.56 0.52 0.00 0.00 175.17 177.65 2bu9 h GLN 22 N 9.34 0.99 -0.62 4.34 1.08 -1.95 -1.32 115.11 126.97 2bu9 h GLN 22 Ca -0.29 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 56.55 2bu9 h GLN 22 Cb 1.08 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 2bu9 h GLN 22 CO 1.13 0.95 0.11 0.00 -0.95 0.00 0.00 178.83 180.08 2bu9 h ALA 23 N 0.99 1.01 -0.79 3.87 0.00 -1.99 -1.17 119.26 121.18 2bu9 h ALA 23 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2bu9 h ALA 23 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2bu9 h ALA 23 CO 0.02 0.63 0.37 0.00 0.00 0.00 0.00 179.25 180.27 2bu9 h ALA 24 N 1.16 1.02 -0.73 0.00 0.00 -1.91 -1.39 119.26 117.42 2bu9 h ALA 24 Ca 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2bu9 h ALA 24 Cb 0.40 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2bu9 h ALA 24 CO 0.01 0.59 0.33 0.87 0.00 0.00 0.00 179.25 181.05 2bu9 h LYS 25 N 1.12 1.05 -0.70 0.00 1.57 -0.82 -1.95 116.57 116.84 2bu9 h LYS 25 Ca 0.27 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2bu9 h LYS 25 Cb 0.13 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2bu9 h LYS 25 CO -0.03 0.82 0.29 0.52 -0.57 0.00 0.00 179.45 180.47 2bu9 h MET 26 N 1.04 1.03 0.00 3.15 2.86 -0.48 -0.26 114.93 122.26 2bu9 h MET 26 Ca 0.25 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2bu9 h MET 26 Cb 0.13 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2bu9 h MET 26 CO -0.03 0.83 -0.39 0.00 1.06 0.00 0.00 176.91 178.38 2bu9 h ARG 27 N 1.01 0.00 -0.26 1.72 3.08 -0.79 -0.54 114.38 118.59 2bu9 h ARG 27 Ca 0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 2bu9 h ARG 27 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2bu9 h ARG 27 CO -0.02 0.39 -0.17 0.28 -1.07 0.00 0.00 179.97 179.38 2bu9 h VAL 28 N 0.00 1.30 -0.96 2.04 2.07 -0.96 -3.04 116.25 116.70 2bu9 h VAL 28 Ca -0.00 -1.28 0.09 0.00 0.82 0.00 0.00 66.70 66.33 2bu9 h VAL 28 Cb 0.69 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2bu9 h VAL 28 CO 0.05 0.40 0.62 0.00 0.02 0.00 0.00 177.57 178.66 2bu9 h ALA 29 N 0.72 1.52 -0.94 1.67 0.00 -0.59 -0.94 119.26 120.69 2bu9 h ALA 29 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bu9 h ALA 29 Cb 0.69 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2bu9 h ALA 29 CO 0.05 0.29 0.56 0.37 0.00 0.00 0.00 179.25 180.52 2bu9 h GLN 30 N 1.02 1.28 -0.70 0.00 -0.00 -1.05 0.98 115.11 116.65 2bu9 h GLN 30 Ca 0.44 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.91 2bu9 h GLN 30 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 27.48 27.53 2bu9 h GLN 30 CO -0.20 0.90 0.21 1.96 0.00 0.00 0.00 178.83 181.70 2bu9 h GLN 31 N 1.30 1.09 -0.47 1.69 4.20 -1.10 -0.50 115.11 121.32 2bu9 h GLN 31 Ca 0.34 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2bu9 h GLN 31 Cb -0.05 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2bu9 h GLN 31 CO -0.06 0.95 0.16 0.82 -0.67 0.00 0.00 178.83 180.03 2bu9 h ILE 32 N 1.03 1.22 -0.30 2.54 2.04 -0.82 -1.48 117.51 121.75 2bu9 h ILE 32 Ca 0.22 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2bu9 h ILE 32 Cb 0.32 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2bu9 h ILE 32 CO -0.00 0.26 0.11 -0.78 0.00 0.00 0.00 178.15 177.74 2bu9 h ASP 33 N 0.62 0.13 -0.43 1.72 3.58 -0.47 -0.26 116.42 121.32 2bu9 h ASP 33 Ca 0.15 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2bu9 h ASP 33 Cb 0.24 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2bu9 h ASP 33 CO -0.01 0.11 0.28 0.00 -2.88 0.00 0.00 179.24 176.74 2bu9 h ALA 34 N 1.18 0.54 -0.60 -0.78 0.00 -0.92 -0.96 119.26 117.74 2bu9 h ALA 34 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2bu9 h ALA 34 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bu9 h ALA 34 CO -0.13 0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.21 2bu9 h ALA 35 N 1.15 0.79 -0.17 0.00 0.00 -1.08 -2.10 119.26 117.86 2bu9 h ALA 35 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2bu9 h ALA 35 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2bu9 h ALA 35 CO -0.03 0.56 -0.16 0.77 0.00 0.00 0.00 179.25 180.39 2bu9 h SER 36 N 0.90 0.27 1.53 0.00 0.02 -0.64 -0.73 113.55 114.90 2bu9 h SER 36 Ca 0.18 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2bu9 h SER 36 Cb 0.44 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2bu9 h SER 36 CO 0.01 0.45 -0.16 0.03 -1.14 0.00 0.00 176.83 176.02 2bu9 h ARG 37 N 0.26 0.00 0.00 3.45 3.08 -0.97 -3.38 114.38 116.82 2bu9 h ARG 37 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2bu9 h ARG 37 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2bu9 h ARG 37 CO 0.03 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.46 2bu9 n ASP 38 N -2.55 0.00 0.15 7.04 2.03 -0.81 -4.88 116.55 117.53 2bu9 n ASP 38 Ca 0.04 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.47 2bu9 n ASP 38 Cb 0.47 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.04 2bu9 n ASP 38 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2bu9 h THR 39 N 0.00 0.00 0.00 5.18 1.35 -1.79 -3.47 112.91 114.18 2bu9 h THR 39 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2bu9 h THR 39 Cb 0.00 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2bu9 h THR 39 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2bu9 n GLY 40 N 1.18 0.73 3.30 5.82 0.00 -0.33 -4.81 105.19 111.07 2bu9 n GLY 40 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2bu9 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bu9 s PHE 41 N -2.56 1.87 0.13 1.61 0.40 -1.26 -4.13 117.98 114.03 2bu9 s PHE 41 Ca 0.00 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 2bu9 s PHE 41 Cb 0.00 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.51 2bu9 s PHE 41 CO 0.00 0.21 0.35 -0.59 0.70 0.00 0.00 175.22 175.89 2bu9 s PHE 42 N -1.10 0.01 -0.25 0.36 -0.71 -0.91 -4.26 117.98 111.12 2bu9 s PHE 42 Ca 0.08 -0.37 -0.10 0.00 -1.04 0.00 0.00 56.93 55.49 2bu9 s PHE 42 Cb -0.10 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 2bu9 s PHE 42 CO 0.04 -0.70 0.16 0.71 -1.34 0.00 0.00 175.22 174.09 2bu9 s TYR 43 N -3.86 3.29 -0.20 3.49 2.02 -0.04 -0.63 117.35 121.40 2bu9 s TYR 43 Ca 0.07 0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.66 2bu9 s TYR 43 Cb 0.02 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 2bu9 s TYR 43 CO -0.08 0.01 1.06 0.00 -1.57 0.00 0.00 175.55 174.97 2bu9 s ALA 44 N 1.20 3.64 0.32 3.71 0.00 0.58 -0.45 121.76 130.75 2bu9 s ALA 44 Ca 0.07 0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.38 2bu9 s ALA 44 Cb -0.14 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 2bu9 s ALA 44 CO 0.06 -0.99 -0.12 0.14 0.00 0.00 0.00 175.76 174.85 2bu9 s VAL 45 N 3.04 2.43 -1.37 0.00 -7.23 -0.34 -1.90 120.40 115.02 2bu9 s VAL 45 Ca 0.46 -2.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 2bu9 s VAL 45 Cb -0.16 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.25 2bu9 s VAL 45 CO 0.09 -0.28 1.02 0.59 -0.31 0.00 0.00 175.10 176.21 2bu9 n ASN 46 N -0.76 -4.32 0.05 4.85 3.02 -1.26 -1.78 115.26 115.06 2bu9 n ASN 46 Ca -0.05 -0.66 0.12 0.00 -0.03 0.00 0.00 54.58 53.96 2bu9 n ASN 46 Cb 0.62 -4.61 0.20 0.00 -0.61 0.00 0.00 39.78 35.38 2bu9 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bu9 n HIS 47 N -4.64 0.42 -0.94 3.10 1.44 -1.26 -3.67 115.22 109.67 2bu9 n HIS 47 Ca -0.09 0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2bu9 n HIS 47 Cb 0.59 -0.57 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2bu9 n HIS 47 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2bu9 n GLY 48 N 1.38 0.90 3.83 -1.39 0.00 -1.26 -4.90 105.19 103.75 2bu9 n GLY 48 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2bu9 n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bu9 s ILE 49 N -3.58 5.06 -1.04 -0.61 1.01 -1.26 -5.02 121.20 115.76 2bu9 s ILE 49 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 60.65 61.26 2bu9 s ILE 49 Cb 0.00 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.85 2bu9 s ILE 49 CO 0.00 0.57 1.38 0.21 0.00 0.00 0.00 174.94 177.10 2bu9 s ASN 50 N -0.98 6.62 0.32 3.58 3.84 -1.26 -4.80 114.94 122.26 2bu9 s ASN 50 Ca 0.23 -1.87 0.17 0.00 0.21 0.00 0.00 52.86 51.60 2bu9 s ASN 50 Cb -0.16 -2.51 0.30 0.00 -0.55 0.00 0.00 41.25 38.33 2bu9 s ASN 50 CO 0.13 -1.27 1.55 -0.37 -2.79 0.00 0.00 177.10 174.35 2bu9 h VAL 51 N 6.19 0.84 -0.61 -5.21 -1.51 -1.93 -2.27 116.25 111.74 2bu9 h VAL 51 Ca 0.23 -1.94 -0.07 0.00 -1.23 0.00 0.00 66.70 63.68 2bu9 h VAL 51 Cb 0.99 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 32.36 2bu9 h VAL 51 CO 1.32 0.44 0.10 -0.61 -1.23 0.00 0.00 177.57 177.59 2bu9 h GLN 52 N 0.00 1.01 -0.40 5.19 -0.00 -1.88 -0.78 115.11 118.25 2bu9 h GLN 52 Ca -0.00 -0.27 -0.15 0.00 -0.00 0.00 0.00 58.65 58.23 2bu9 h GLN 52 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.56 2bu9 h GLN 52 CO 0.06 0.95 -0.32 -0.09 0.00 0.00 0.00 178.83 179.42 2bu9 h ARG 53 N 0.92 0.92 -0.37 1.69 2.43 -1.95 -0.92 114.38 117.09 2bu9 h ARG 53 Ca 0.19 -0.46 0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2bu9 h ARG 53 Cb 0.42 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2bu9 h ARG 53 CO 0.01 1.11 -0.16 1.25 -1.51 0.00 0.00 179.97 180.67 2bu9 h LEU 54 N 0.73 -0.56 -0.81 3.80 5.85 -1.22 -0.17 115.31 122.93 2bu9 h LEU 54 Ca 0.07 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 2bu9 h LEU 54 Cb 0.91 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2bu9 h LEU 54 CO 0.08 -0.20 0.03 -1.28 -0.34 0.00 0.00 178.44 176.73 2bu9 h SER 55 N -0.09 0.89 -0.35 1.25 0.87 -0.86 -1.26 113.55 114.00 2bu9 h SER 55 Ca 0.19 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 2bu9 h SER 55 Cb 0.38 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2bu9 h SER 55 CO -0.44 0.94 -0.07 -0.61 -0.53 0.00 0.00 176.83 176.12 2bu9 h GLN 56 N 0.86 0.66 -0.25 2.24 5.75 -0.64 -0.31 115.11 123.42 2bu9 h GLN 56 Ca 0.17 -0.25 -0.13 0.00 -0.15 0.00 0.00 58.65 58.29 2bu9 h GLN 56 Cb 0.47 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2bu9 h GLN 56 CO 0.02 0.82 -0.37 0.87 -2.65 0.00 0.00 178.83 177.52 2bu9 h LYS 57 N 0.45 0.57 -0.40 1.69 1.79 -0.92 -1.06 116.57 118.70 2bu9 h LYS 57 Ca 0.09 -0.28 -0.12 0.00 -2.18 0.00 0.00 60.65 58.16 2bu9 h LYS 57 Cb 0.57 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2bu9 h LYS 57 CO 0.03 0.86 -0.20 1.15 -1.08 0.00 0.00 179.45 180.21 2bu9 h THR 58 N 0.48 1.28 -0.53 -0.16 2.02 -1.13 -2.16 112.91 112.71 2bu9 h THR 58 Ca 0.05 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 2bu9 h THR 58 Cb 0.86 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2bu9 h THR 58 CO 0.07 0.45 0.32 0.50 0.37 0.00 0.00 175.52 177.24 2bu9 h LYS 59 N 0.65 0.72 -0.93 6.66 3.64 -0.80 -0.30 116.57 126.22 2bu9 h LYS 59 Ca 0.09 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2bu9 h LYS 59 Cb 0.76 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 2bu9 h LYS 59 CO 0.06 0.52 0.61 0.93 -2.27 0.00 0.00 179.45 179.31 2bu9 h GLU 60 N 0.72 1.23 0.44 1.90 5.08 -1.02 -0.61 114.58 122.32 2bu9 h GLU 60 Ca 0.19 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2bu9 h GLU 60 Cb -0.02 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.96 2bu9 h GLU 60 CO -0.04 0.82 -0.21 0.35 -1.00 0.00 0.00 179.01 178.93 2bu9 h PHE 61 N 1.26 -0.55 -0.61 4.33 3.57 -0.98 -2.70 116.94 121.25 2bu9 h PHE 61 Ca 0.34 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2bu9 h PHE 61 Cb -0.14 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2bu9 h PHE 61 CO -0.01 -0.29 0.26 0.45 -2.23 0.00 0.00 178.31 176.50 2bu9 h HIS 62 N -0.71 0.88 0.00 0.41 3.86 -0.80 -1.22 115.15 117.58 2bu9 h HIS 62 Ca -0.06 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2bu9 h HIS 62 Cb 0.51 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2bu9 h HIS 62 CO -0.02 0.67 -0.35 -1.33 0.86 0.00 0.00 177.93 177.76 2bu9 n MET 63 N -4.33 0.16 -0.01 2.45 2.81 -0.26 -4.01 117.12 113.93 2bu9 n MET 63 Ca 0.05 0.08 0.07 0.00 -1.81 0.00 0.00 57.70 56.09 2bu9 n MET 63 Cb 0.15 -1.63 -0.11 0.00 -0.71 0.00 0.00 33.22 30.93 2bu9 n MET 63 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2bu9 n SER 64 N -1.88 1.60 -4.77 7.83 3.41 -0.97 -4.99 113.62 113.84 2bu9 n SER 64 Ca 0.05 -0.10 -0.40 0.00 -0.26 0.00 0.00 58.87 58.16 2bu9 n SER 64 Cb 0.39 1.57 -0.01 0.00 -0.26 0.00 0.00 64.21 65.91 2bu9 n SER 64 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2bu9 s ILE 65 N -2.91 2.46 0.31 -1.33 2.07 -0.50 -5.01 121.20 116.28 2bu9 s ILE 65 Ca -0.04 0.44 0.07 0.00 -1.41 0.00 0.00 60.65 59.72 2bu9 s ILE 65 Cb 0.09 -3.28 -0.03 0.00 0.13 0.00 0.00 42.46 39.38 2bu9 s ILE 65 CO 0.59 0.09 0.25 0.42 -1.91 0.00 0.00 174.94 174.38 2bu9 s THR 66 N -1.17 3.83 0.35 4.00 -4.23 -1.26 -4.99 115.64 112.17 2bu9 s THR 66 Ca 0.53 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 2bu9 s THR 66 Cb -0.41 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 70.50 2bu9 s THR 66 CO 0.55 -0.24 1.88 -0.65 -0.54 0.00 0.00 174.62 175.61 2bu9 h PRO 67 N 1.35 0.70 -0.41 3.99 0.11 -1.99 -1.29 132.00 134.46 2bu9 h PRO 67 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2bu9 h PRO 67 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2bu9 h PRO 67 CO 0.59 0.46 0.22 1.49 -0.21 0.00 0.00 178.00 180.56 2bu9 h GLU 68 N 0.72 0.57 -0.66 1.05 4.81 -2.01 -2.27 114.58 116.80 2bu9 h GLU 68 Ca 0.44 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2bu9 h GLU 68 Cb 0.66 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2bu9 h GLU 68 CO -0.20 0.46 0.14 0.93 -0.73 0.00 0.00 179.01 179.61 2bu9 h GLU 69 N 0.53 1.06 -0.64 1.92 5.08 -1.69 -2.21 114.58 118.63 2bu9 h GLU 69 Ca 0.14 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2bu9 h GLU 69 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2bu9 h GLU 69 CO -0.02 0.95 0.38 0.87 -1.00 0.00 0.00 179.01 180.19 2bu9 h LYS 70 N 1.00 0.86 -0.85 2.33 1.57 -0.86 -1.20 116.57 119.42 2bu9 h LYS 70 Ca 0.21 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2bu9 h LYS 70 Cb 0.38 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2bu9 h LYS 70 CO 0.01 0.62 0.43 -1.49 -0.57 0.00 0.00 179.45 178.45 2bu9 h TRP 71 N 0.86 1.21 0.00 -1.35 -0.00 -1.19 -1.41 115.95 114.07 2bu9 h TRP 71 Ca 0.23 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 59.05 2bu9 h TRP 71 Cb -0.02 -0.38 -0.00 0.00 -0.00 0.00 0.00 29.16 28.76 2bu9 h TRP 71 CO -0.02 0.86 -0.11 -0.44 -0.00 0.00 0.00 178.44 178.74 2bu9 h ASP 72 N 1.21 0.00 -0.03 -3.49 3.32 -0.87 -2.54 116.42 114.02 2bu9 h ASP 72 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2bu9 h ASP 72 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2bu9 h ASP 72 CO -0.04 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.77 2bu9 n LEU 73 N -3.36 2.44 -4.77 1.55 4.77 -0.50 -5.05 117.00 112.07 2bu9 n LEU 73 Ca -0.01 -1.02 -0.40 0.00 -0.03 0.00 0.00 56.01 54.55 2bu9 n LEU 73 Cb 0.30 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2bu9 n LEU 73 CO 0.29 0.44 0.97 0.00 -1.33 0.00 0.00 177.39 177.76 2bu9 s ALA 74 N -1.41 3.34 0.89 -1.18 0.00 -0.55 -0.93 121.76 121.92 2bu9 s ALA 74 Ca 0.20 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 2bu9 s ALA 74 Cb 0.14 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.90 2bu9 s ALA 74 CO 0.21 -0.76 1.11 0.96 0.00 0.00 0.00 175.76 177.28 2bu9 s ILE 75 N -1.23 2.54 0.47 0.00 -4.36 -0.63 -4.67 121.20 113.32 2bu9 s ILE 75 Ca 0.54 0.18 0.26 0.00 -0.26 0.00 0.00 60.65 61.37 2bu9 s ILE 75 Cb -0.39 -2.40 0.45 0.00 1.25 0.00 0.00 42.46 41.37 2bu9 s ILE 75 CO 0.50 -0.23 1.82 -0.09 0.24 0.00 0.00 174.94 177.18 2bu9 h ARG 76 N -1.66 0.20 0.00 0.37 2.43 -1.01 -0.82 114.38 113.89 2bu9 h ARG 76 Ca -0.45 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2bu9 h ARG 76 Cb 1.26 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2bu9 h ARG 76 CO 0.47 0.13 -0.10 0.00 -1.51 0.00 0.00 179.97 178.96 2bu9 h ALA 77 N 1.55 1.35 0.00 2.80 0.00 -1.91 -2.92 119.26 120.12 2bu9 h ALA 77 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2bu9 h ALA 77 Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2bu9 h ALA 77 CO -0.14 0.12 -1.40 0.66 0.00 0.00 0.00 179.25 178.49 2bu9 n TYR 78 N -3.71 0.00 -3.50 0.00 4.01 -0.44 -4.93 117.16 108.59 2bu9 n TYR 78 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 2bu9 n TYR 78 Cb 0.21 -0.24 -0.13 0.00 -0.31 0.00 0.00 39.34 38.87 2bu9 n TYR 78 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bu9 s ASN 79 N -3.21 2.43 0.43 7.72 3.84 -0.46 -5.01 114.94 120.69 2bu9 s ASN 79 Ca -0.03 -0.83 0.30 0.00 0.21 0.00 0.00 52.86 52.50 2bu9 s ASN 79 Cb 0.08 0.04 1.56 0.00 -0.55 0.00 0.00 41.25 42.38 2bu9 s ASN 79 CO 0.51 -0.39 1.90 0.11 -2.79 0.00 0.00 177.10 176.44 2bu9 h LYS 80 N 8.35 0.00 0.00 0.43 6.56 -1.86 -1.91 116.57 128.14 2bu9 h LYS 80 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 2bu9 h LYS 80 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 2bu9 h LYS 80 CO 0.36 0.00 0.00 0.93 -2.06 0.00 0.00 179.45 178.68 2bu9 h GLU 81 N 0.00 0.00 -2.33 3.15 5.08 -1.95 -3.36 114.58 115.17 2bu9 h GLU 81 Ca 0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 2bu9 h GLU 81 Cb 0.05 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 28.97 2bu9 h GLU 81 CO 0.00 0.00 0.31 0.72 -1.00 0.00 0.00 179.01 179.04 2bu9 n HIS 82 N -2.71 3.22 0.29 4.33 8.25 -0.72 -4.84 115.22 123.04 2bu9 n HIS 82 Ca 0.02 -3.18 0.15 0.00 -0.26 0.00 0.00 57.72 54.46 2bu9 n HIS 82 Cb 0.32 -0.91 0.85 0.00 1.12 0.00 0.00 29.99 31.37 2bu9 n HIS 82 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2bu9 h GLN 83 N 3.93 0.00 0.00 -0.41 1.08 -1.81 -1.48 115.11 116.42 2bu9 h GLN 83 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 2bu9 h GLN 83 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2bu9 h GLN 83 CO 1.05 0.06 -0.06 -0.25 -0.95 0.00 0.00 178.83 178.68 2bu9 n ASP 84 N -3.53 0.66 -4.41 1.46 8.00 -1.26 -4.57 116.55 112.90 2bu9 n ASP 84 Ca -0.02 0.51 -0.45 0.00 0.71 0.00 0.00 54.79 55.54 2bu9 n ASP 84 Cb 0.18 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.63 2bu9 n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2bu9 s GLN 85 N -3.09 3.98 -0.08 -1.24 -0.21 -0.56 -4.72 119.66 113.74 2bu9 s GLN 85 Ca 0.11 -2.61 -0.05 0.00 0.02 0.00 0.00 55.36 52.84 2bu9 s GLN 85 Cb 0.14 -4.81 -0.27 0.00 1.00 0.00 0.00 33.01 29.06 2bu9 s GLN 85 CO 0.60 -1.56 0.53 0.28 -2.12 0.00 0.00 175.29 173.02 2bu9 h VAL 86 N 4.60 0.78 0.00 1.09 2.07 -1.83 0.26 116.25 123.22 2bu9 h VAL 86 Ca 0.22 -2.48 -0.16 0.00 0.82 0.00 0.00 66.70 65.11 2bu9 h VAL 86 Cb 0.92 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 2bu9 h VAL 86 CO 1.09 0.83 -1.33 0.54 0.02 0.00 0.00 177.57 178.72 2bu9 n ARG 87 N -3.45 0.33 -3.27 1.57 1.74 -1.26 -4.86 116.66 107.46 2bu9 n ARG 87 Ca -0.27 0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.57 2bu9 n ARG 87 Cb 1.05 -1.06 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2bu9 n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bu9 s ALA 88 N -2.39 3.54 0.00 7.54 0.00 -1.26 -4.70 121.76 124.48 2bu9 s ALA 88 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2bu9 s ALA 88 Cb 0.06 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2bu9 s ALA 88 CO 0.27 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2bu9 n GLY 89 N 2.26 0.79 3.82 0.00 0.00 -0.11 -4.62 105.19 107.34 2bu9 n GLY 89 Ca -0.09 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 2bu9 n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bu9 s TYR 90 N -1.72 3.66 -0.31 1.61 6.14 -0.10 -0.96 117.35 125.66 2bu9 s TYR 90 Ca 0.00 0.88 -0.01 0.00 0.64 0.00 0.00 57.07 58.58 2bu9 s TYR 90 Cb 0.00 -2.27 0.06 0.00 0.42 0.00 0.00 41.96 40.17 2bu9 s TYR 90 CO 0.00 0.57 0.02 0.71 0.64 0.00 0.00 175.55 177.49 2bu9 s TYR 91 N -0.74 3.36 0.45 4.97 1.51 0.45 -1.61 117.35 125.73 2bu9 s TYR 91 Ca 0.22 -2.11 -0.20 0.00 -1.01 0.00 0.00 57.07 53.97 2bu9 s TYR 91 Cb -0.16 -2.32 -0.10 0.00 -0.11 0.00 0.00 41.96 39.27 2bu9 s TYR 91 CO 0.11 -0.85 0.97 -0.51 -1.11 0.00 0.00 175.55 174.15 2bu9 s LEU 92 N 1.19 3.90 0.74 -1.29 1.02 -1.26 -1.53 118.68 121.44 2bu9 s LEU 92 Ca -0.02 1.72 -0.11 0.00 0.02 0.00 0.00 54.13 55.73 2bu9 s LEU 92 Cb -0.20 -4.54 0.04 0.00 0.02 0.00 0.00 46.19 41.50 2bu9 s LEU 92 CO -0.03 -0.45 1.08 -0.55 0.02 0.00 0.00 176.35 176.42 2bu9 s SER 93 N -2.23 4.96 -0.41 2.29 0.15 -1.25 -4.80 113.70 112.42 2bu9 s SER 93 Ca 0.63 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.81 2bu9 s SER 93 Cb -0.10 -2.32 0.12 0.00 -1.71 0.00 0.00 66.02 62.01 2bu9 s SER 93 CO 0.16 -1.70 0.17 -0.63 1.20 0.00 0.00 173.24 172.44 2bu9 s ILE 94 N -3.08 1.77 0.40 6.45 1.01 -0.20 -4.98 121.20 122.56 2bu9 s ILE 94 Ca 0.59 -2.46 -0.26 0.00 0.00 0.00 0.00 60.65 58.52 2bu9 s ILE 94 Cb -0.14 -2.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.95 2bu9 s ILE 94 CO 0.55 -0.76 1.21 -2.65 0.00 0.00 0.00 174.94 173.28 2bu9 n PRO 95 N 3.86 1.83 0.00 2.79 -0.02 -1.26 -0.47 135.00 141.73 2bu9 n PRO 95 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2bu9 n PRO 95 Cb 0.37 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2bu9 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bu9 n GLY 96 N 0.90 2.68 0.79 -1.23 0.00 -1.26 -4.76 105.19 102.30 2bu9 n GLY 96 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2bu9 n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bu9 n LYS 97 N -2.00 0.00 -3.69 1.61 4.76 0.29 -4.48 118.16 114.65 2bu9 n LYS 97 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 2bu9 n LYS 97 Cb 0.00 -0.42 -0.17 0.00 -1.84 0.00 0.00 35.03 32.60 2bu9 n LYS 97 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2bu9 s LYS 98 N -1.62 0.31 -0.07 1.97 2.20 0.38 -3.13 119.74 119.78 2bu9 s LYS 98 Ca 0.00 -0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 2bu9 s LYS 98 Cb 0.00 -1.38 -0.29 0.00 -1.51 0.00 0.00 37.83 34.65 2bu9 s LYS 98 CO 0.00 -0.49 0.67 0.00 -0.36 0.00 0.00 175.35 175.17 2bu9 h ALA 99 N 8.36 0.10 -2.64 3.13 0.00 -1.85 -0.52 119.26 125.84 2bu9 h ALA 99 Ca -0.16 -1.03 -0.50 0.00 0.00 0.00 0.00 54.91 53.22 2bu9 h ALA 99 Cb 1.13 0.39 0.06 0.00 0.00 0.00 0.00 17.79 19.38 2bu9 h ALA 99 CO 0.26 0.80 0.46 0.54 0.00 0.00 0.00 179.25 181.31 2bu9 s VAL 100 N -2.50 3.18 0.10 0.00 0.11 -1.26 -4.56 120.40 115.46 2bu9 s VAL 100 Ca -0.17 0.84 -0.03 0.00 -2.93 0.00 0.00 61.98 59.69 2bu9 s VAL 100 Cb 0.04 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.46 2bu9 s VAL 100 CO 0.81 -0.06 0.07 -1.83 -3.33 0.00 0.00 175.10 170.76 2bu9 s GLU 101 N -2.86 0.82 0.16 1.54 -1.05 -0.96 -3.80 118.70 112.55 2bu9 s GLU 101 Ca 0.66 -1.26 -0.24 0.00 -0.15 0.00 0.00 54.97 53.98 2bu9 s GLU 101 Cb -0.27 0.26 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 2bu9 s GLU 101 CO 0.32 -0.22 0.82 -1.54 0.95 0.00 0.00 175.26 175.59 2bu9 s SER 102 N -2.96 -0.29 -0.07 0.83 1.04 -0.58 -0.75 113.70 110.91 2bu9 s SER 102 Ca 0.14 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2bu9 s SER 102 Cb 0.07 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2bu9 s SER 102 CO -0.05 -0.99 -0.04 0.12 0.98 0.00 0.00 173.24 173.26 2bu9 s PHE 103 N -3.51 0.95 -0.08 5.02 5.36 -0.74 -0.42 117.98 124.56 2bu9 s PHE 103 Ca 0.09 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 2bu9 s PHE 103 Cb -0.03 -0.87 -0.03 0.00 -0.34 0.00 0.00 43.02 41.75 2bu9 s PHE 103 CO -0.01 -0.32 -0.07 0.00 -1.46 0.00 0.00 175.22 173.37 2bu9 s TYR 105 N -0.59 0.52 0.02 0.00 1.13 -0.64 -0.93 117.35 116.87 2bu9 s TYR 105 Ca 0.09 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 2bu9 s TYR 105 Cb -0.12 -0.36 0.00 0.00 -1.10 0.00 0.00 41.96 40.39 2bu9 s TYR 105 CO 0.02 -0.27 0.01 1.28 -2.51 0.00 0.00 175.55 174.09 2bu9 n LEU 106 N 0.61 0.00 -4.70 -3.49 4.77 -1.26 -1.20 117.00 111.73 2bu9 n LEU 106 Ca -0.17 -0.11 -0.59 0.00 -0.03 0.00 0.00 56.01 55.12 2bu9 n LEU 106 Cb 0.59 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 2bu9 n LEU 106 CO 0.26 -0.23 1.22 -3.20 -1.33 0.00 0.00 177.39 174.10 2bu9 n ASN 107 N -1.88 2.01 0.31 -1.43 2.85 -1.24 -4.83 115.26 111.05 2bu9 n ASN 107 Ca -0.00 1.10 0.19 0.00 -0.11 0.00 0.00 54.58 55.76 2bu9 n ASN 107 Cb 0.02 -1.10 1.02 0.00 1.24 0.00 0.00 39.78 40.97 2bu9 n ASN 107 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2bu9 h PRO 108 N 6.37 0.00 0.00 1.20 0.11 -1.94 -1.23 132.00 136.51 2bu9 h PRO 108 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bu9 h PRO 108 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2bu9 h PRO 108 CO 0.93 0.02 0.00 0.09 -0.21 0.00 0.00 178.00 178.83 2bu9 n ASN 109 N -3.32 0.00 -4.57 -2.05 3.02 -1.26 -4.38 115.26 102.70 2bu9 n ASN 109 Ca -0.02 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 2bu9 n ASN 109 Cb 0.13 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 2bu9 n ASN 109 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2bu9 s PHE 110 N -2.51 2.68 0.36 3.10 0.08 -0.46 -4.76 117.98 116.47 2bu9 s PHE 110 Ca 0.26 -1.34 0.07 0.00 0.12 0.00 0.00 56.93 56.04 2bu9 s PHE 110 Cb 0.17 -4.71 -0.01 0.00 -0.57 0.00 0.00 43.02 37.89 2bu9 s PHE 110 CO 0.37 -1.82 0.42 0.95 -0.10 0.00 0.00 175.22 175.04 2bu9 s THR 111 N 4.70 3.58 0.53 0.64 -4.23 -1.26 -4.22 115.64 115.38 2bu9 s THR 111 Ca 0.53 -1.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.11 2bu9 s THR 111 Cb 0.03 -3.23 0.37 0.00 1.34 0.00 0.00 72.50 71.01 2bu9 s THR 111 CO 0.04 -0.12 2.03 -0.65 -0.54 0.00 0.00 174.62 175.37 2bu9 h PRO 112 N 0.98 0.01 -0.00 3.99 0.11 -1.98 -0.88 132.00 134.24 2bu9 h PRO 112 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2bu9 h PRO 112 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2bu9 h PRO 112 CO 0.54 0.01 -0.10 -0.40 -0.21 0.00 0.00 178.00 177.84 2bu9 n ASP 113 N -4.41 0.56 -4.76 -2.05 5.68 -1.26 -4.31 116.55 105.99 2bu9 n ASP 113 Ca 0.07 -0.71 -0.41 0.00 -0.50 0.00 0.00 54.79 53.24 2bu9 n ASP 113 Cb 0.50 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.41 2bu9 n ASP 113 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2bu9 s HIS 114 N -2.39 3.10 0.53 2.11 2.46 -0.34 -4.83 115.29 115.93 2bu9 s HIS 114 Ca 0.31 1.36 0.18 0.00 0.47 0.00 0.00 55.06 57.38 2bu9 s HIS 114 Cb 0.20 -3.66 1.35 0.00 -0.13 0.00 0.00 32.58 30.34 2bu9 s HIS 114 CO 0.46 -1.89 2.16 -1.35 -2.47 0.00 0.00 174.74 171.65 2bu9 h PRO 115 N 3.88 0.00 0.00 2.88 0.11 -1.91 -0.20 132.00 136.76 2bu9 h PRO 115 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2bu9 h PRO 115 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2bu9 h PRO 115 CO 0.69 0.00 -0.75 0.00 -0.21 0.00 0.00 178.00 177.72 2bu9 h ARG 116 N 0.00 0.00 -0.14 1.05 2.47 -1.95 -1.89 114.38 113.93 2bu9 h ARG 116 Ca 0.01 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.63 2bu9 h ARG 116 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2bu9 h ARG 116 CO -0.00 0.75 -0.30 0.82 0.56 0.00 0.00 179.97 181.81 2bu9 h ILE 117 N 0.00 1.37 -0.92 2.04 1.08 -1.54 -1.37 117.51 118.17 2bu9 h ILE 117 Ca -0.01 -1.57 0.05 0.00 -0.39 0.00 0.00 64.86 62.94 2bu9 h ILE 117 Cb 1.46 2.03 -0.06 0.00 -3.07 0.00 0.00 36.82 37.19 2bu9 h ILE 117 CO 0.10 0.47 0.59 1.56 -0.69 0.00 0.00 178.15 180.18 2bu9 h GLN 118 N 0.05 1.10 0.00 2.37 1.08 -1.06 -1.24 115.11 117.40 2bu9 h GLN 118 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2bu9 h GLN 118 Cb 0.90 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2bu9 h GLN 118 CO 0.07 0.72 0.00 0.00 -0.95 0.00 0.00 178.83 178.67 2bu9 n ALA 119 N -2.36 2.14 -3.59 3.87 0.00 -0.71 -4.91 120.51 114.96 2bu9 n ALA 119 Ca 0.13 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 2bu9 n ALA 119 Cb 0.12 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.24 2bu9 n ALA 119 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bu9 n LYS 120 N -1.62 -7.72 -2.19 0.00 5.02 -0.47 -4.95 118.16 106.24 2bu9 n LYS 120 Ca 0.06 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.76 2bu9 n LYS 120 Cb 0.31 -5.87 -0.03 0.00 -0.02 0.00 0.00 35.03 29.42 2bu9 n LYS 120 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2bu9 s THR 121 N -3.33 3.11 0.51 -0.18 2.01 -0.56 -4.94 115.64 112.27 2bu9 s THR 121 Ca 0.51 0.93 -0.21 0.00 0.31 0.00 0.00 61.69 63.23 2bu9 s THR 121 Cb -0.23 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 2bu9 s THR 121 CO 0.73 0.15 0.93 -2.65 -0.69 0.00 0.00 174.62 173.09 2bu9 n PRO 122 N 2.46 1.08 -0.57 4.92 -0.02 -1.26 -2.45 135.00 139.16 2bu9 n PRO 122 Ca 0.06 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2bu9 n PRO 122 Cb 0.42 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2bu9 n PRO 122 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2bu9 n THR 123 N -1.11 0.00 -3.99 3.45 -2.24 -1.26 -5.01 114.28 104.12 2bu9 n THR 123 Ca 0.11 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 2bu9 n THR 123 Cb 0.43 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.55 2bu9 n THR 123 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2bu9 s HIS 124 N -3.49 3.21 0.04 4.78 3.76 -1.02 -5.03 115.29 117.53 2bu9 s HIS 124 Ca 0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 54.82 2bu9 s HIS 124 Cb 0.00 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 2bu9 s HIS 124 CO 0.00 0.05 0.13 -1.21 -0.85 0.00 0.00 174.74 172.86 2bu9 s GLU 125 N 0.60 0.63 -0.08 1.40 2.02 -1.26 -4.80 118.70 117.21 2bu9 s GLU 125 Ca 0.03 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 54.00 2bu9 s GLU 125 Cb -0.13 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.33 2bu9 s GLU 125 CO 0.01 -0.17 0.88 0.08 0.02 0.00 0.00 175.26 176.08 2bu9 s VAL 126 N -2.72 4.90 0.55 2.63 1.01 -1.26 -4.80 120.40 120.70 2bu9 s VAL 126 Ca -0.04 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 63.52 2bu9 s VAL 126 Cb -0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2bu9 s VAL 126 CO -0.05 0.12 1.22 0.59 0.00 0.00 0.00 175.10 176.98 2bu9 n ASN 127 N 4.42 2.05 -4.67 3.32 3.02 -1.26 -5.00 115.26 117.14 2bu9 n ASN 127 Ca 0.04 0.94 -0.33 0.00 -0.03 0.00 0.00 54.58 55.20 2bu9 n ASN 127 Cb 0.50 -1.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.07 2bu9 n ASN 127 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2bu9 s VAL 128 N -1.34 4.15 0.07 2.41 -7.23 -1.26 -5.11 120.40 112.09 2bu9 s VAL 128 Ca 0.72 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 60.43 2bu9 s VAL 128 Cb -0.43 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 2bu9 s VAL 128 CO 0.49 0.45 -0.12 0.26 -0.31 0.00 0.00 175.10 175.87 2bu9 s TRP 129 N -1.01 1.09 0.96 2.82 0.52 -1.26 -4.83 118.94 117.23 2bu9 s TRP 129 Ca 0.17 -0.50 -0.12 0.00 0.02 0.00 0.00 56.10 55.67 2bu9 s TRP 129 Cb -0.11 -0.61 0.16 0.00 -1.15 0.00 0.00 33.47 31.76 2bu9 s TRP 129 CO 0.07 0.02 1.10 -1.25 0.02 0.00 0.00 176.95 176.92 2bu9 s PRO 130 N -1.93 0.78 0.16 4.98 0.04 -1.26 -4.95 135.00 132.82 2bu9 s PRO 130 Ca -0.02 0.58 -0.33 0.00 0.04 0.00 0.00 61.00 61.27 2bu9 s PRO 130 Cb -0.09 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 2bu9 s PRO 130 CO 0.02 -2.51 1.65 -3.47 0.04 0.00 0.00 177.00 172.72 2bu9 n ASP 131 N -4.03 3.41 -0.20 6.66 -0.08 -1.26 -4.91 116.55 116.13 2bu9 n ASP 131 Ca 0.06 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 2bu9 n ASP 131 Cb 0.57 -1.47 0.24 0.00 2.34 0.00 0.00 41.12 42.80 2bu9 n ASP 131 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2bu9 h GLU 132 N 6.48 0.97 0.00 -0.67 4.57 -1.92 -1.42 114.58 122.59 2bu9 h GLU 132 Ca -0.45 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 57.59 2bu9 h GLU 132 Cb 1.24 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2bu9 h GLU 132 CO 0.91 0.66 -0.34 1.79 -1.18 0.00 0.00 179.01 180.85 2bu9 h THR 133 N 0.99 1.18 0.00 0.32 1.35 -1.99 -1.96 112.91 112.80 2bu9 h THR 133 Ca 0.26 -1.19 -0.22 0.00 -0.55 0.00 0.00 66.41 64.71 2bu9 h THR 133 Cb -0.08 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 2bu9 h THR 133 CO -0.05 0.33 -1.10 0.11 -0.25 0.00 0.00 175.52 174.56 2bu9 h LYS 134 N 0.00 0.00 -2.13 4.72 1.57 -1.79 -3.39 116.57 115.56 2bu9 h LYS 134 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2bu9 h LYS 134 Cb 0.63 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.53 2bu9 h LYS 134 CO 0.04 0.90 -0.87 0.72 -0.57 0.00 0.00 179.45 179.67 2bu9 n HIS 135 N -3.29 2.04 -1.74 -1.35 8.25 -0.59 -5.02 115.22 113.51 2bu9 n HIS 135 Ca -0.03 -3.90 -0.42 0.00 -0.26 0.00 0.00 57.72 53.12 2bu9 n HIS 135 Cb 0.95 -0.46 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2bu9 n HIS 135 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2bu9 s PRO 136 N -2.50 4.11 0.00 -0.41 0.04 -0.77 -1.63 135.00 133.85 2bu9 s PRO 136 Ca 0.42 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.07 2bu9 s PRO 136 Cb 0.25 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2bu9 s PRO 136 CO -0.09 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2bu9 n GLY 137 N 2.77 2.74 0.06 0.56 0.00 -1.26 -4.91 105.19 105.15 2bu9 n GLY 137 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2bu9 n GLY 137 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bu9 h PHE 138 N 0.00 0.03 -0.42 1.61 3.57 -1.67 -0.83 116.94 119.23 2bu9 h PHE 138 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2bu9 h PHE 138 Cb 0.00 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2bu9 h PHE 138 CO 0.00 0.34 0.23 0.37 -2.23 0.00 0.00 178.31 177.03 2bu9 h GLN 139 N -0.29 0.46 -0.51 1.11 4.15 -1.91 0.95 115.11 119.07 2bu9 h GLN 139 Ca 0.00 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2bu9 h GLN 139 Cb 0.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2bu9 h GLN 139 CO 0.00 0.30 0.02 -0.44 -1.93 0.00 0.00 178.83 176.78 2bu9 h ASP 140 N 0.47 0.87 -0.17 -0.69 3.32 -1.93 -0.04 116.42 118.25 2bu9 h ASP 140 Ca 0.17 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.93 2bu9 h ASP 140 Cb 0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2bu9 h ASP 140 CO -0.10 0.96 0.09 0.15 -1.72 0.00 0.00 179.24 178.62 2bu9 h PHE 141 N 0.76 0.17 -0.71 4.55 3.57 -0.75 -1.76 116.94 122.77 2bu9 h PHE 141 Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2bu9 h PHE 141 Cb 0.50 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2bu9 h PHE 141 CO 0.04 0.10 0.30 0.00 -2.23 0.00 0.00 178.31 176.52 2bu9 h ALA 142 N 1.09 0.92 -0.51 2.41 0.00 -0.52 0.28 119.26 122.93 2bu9 h ALA 142 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2bu9 h ALA 142 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2bu9 h ALA 142 CO -0.04 0.52 -0.04 0.93 0.00 0.00 0.00 179.25 180.62 2bu9 h GLU 143 N 1.01 0.93 -0.69 0.00 5.08 -0.95 -1.50 114.58 118.46 2bu9 h GLU 143 Ca 0.24 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2bu9 h GLU 143 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2bu9 h GLU 143 CO -0.02 0.97 0.29 0.37 -1.00 0.00 0.00 179.01 179.62 2bu9 h GLN 144 N 0.79 1.01 -0.81 2.33 5.75 -1.03 -2.50 115.11 120.65 2bu9 h GLN 144 Ca 0.14 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2bu9 h GLN 144 Cb 0.58 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 2bu9 h GLN 144 CO 0.03 0.81 0.51 -0.92 -2.65 0.00 0.00 178.83 176.62 2bu9 h TYR 145 N 0.99 1.05 -0.49 3.99 3.20 -0.60 -0.47 116.97 124.64 2bu9 h TYR 145 Ca 0.23 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.21 2bu9 h TYR 145 Cb 0.17 -0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.00 2bu9 h TYR 145 CO 0.01 0.68 -0.13 -0.92 -1.64 0.00 0.00 178.16 176.17 2bu9 h TYR 146 N 1.11 -0.27 0.00 -3.82 5.03 -0.85 0.09 116.97 118.26 2bu9 h TYR 146 Ca 0.30 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.54 2bu9 h TYR 146 Cb -0.08 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 2bu9 h TYR 146 CO -0.01 -0.21 -0.54 -1.49 -1.32 0.00 0.00 178.16 174.58 2bu9 h TRP 147 N -0.00 0.00 -0.20 -3.82 -0.00 -1.07 0.87 115.95 111.73 2bu9 h TRP 147 Ca 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.07 2bu9 h TRP 147 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 2bu9 h TRP 147 CO -0.42 0.54 -0.09 -0.44 -0.00 0.00 0.00 178.44 178.03 2bu9 h ASP 148 N 0.00 0.42 1.15 -3.49 3.32 -0.14 -1.37 116.42 116.31 2bu9 h ASP 148 Ca -0.01 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 2bu9 h ASP 148 Cb 1.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2bu9 h ASP 148 CO 0.07 0.73 -0.48 1.62 -1.72 0.00 0.00 179.24 179.46 2bu9 h VAL 149 N 0.10 0.93 -0.46 -1.35 3.04 -0.95 -2.24 116.25 115.33 2bu9 h VAL 149 Ca 0.04 -1.98 -0.01 0.00 -1.01 0.00 0.00 66.70 63.75 2bu9 h VAL 149 Cb 0.57 2.22 -0.02 0.00 -2.01 0.00 0.00 31.29 32.05 2bu9 h VAL 149 CO 0.03 0.47 0.26 0.15 -1.01 0.00 0.00 177.57 177.47 2bu9 h PHE 150 N 0.00 0.62 -0.48 3.17 3.04 -0.68 0.33 116.94 122.95 2bu9 h PHE 150 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2bu9 h PHE 150 Cb 1.18 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 2bu9 h PHE 150 CO 0.00 0.45 0.14 0.78 -2.02 0.00 0.00 178.31 177.66 2bu9 h GLY 151 N 0.61 0.80 1.00 2.40 0.00 -0.82 -0.09 103.07 106.97 2bu9 h GLY 151 Ca 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.01 2bu9 h GLY 151 CO -0.03 0.46 0.44 -2.00 0.00 0.00 0.00 176.54 175.41 2bu9 h LEU 152 N 0.64 0.76 -0.73 3.11 5.85 -1.26 -2.48 115.31 121.19 2bu9 h LEU 152 Ca 0.15 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2bu9 h LEU 152 Cb 0.29 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2bu9 h LEU 152 CO -0.00 0.55 0.14 0.28 -0.34 0.00 0.00 178.44 179.06 2bu9 h SER 153 N 0.90 1.05 -0.58 1.25 0.02 -0.49 -0.42 113.55 115.27 2bu9 h SER 153 Ca 0.24 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2bu9 h SER 153 Cb -0.10 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.12 2bu9 h SER 153 CO -0.05 1.02 0.34 0.28 -1.14 0.00 0.00 176.83 177.28 2bu9 h SER 154 N 1.04 0.54 -0.34 3.07 0.02 -0.85 0.08 113.55 117.11 2bu9 h SER 154 Ca 0.21 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2bu9 h SER 154 Cb 0.40 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2bu9 h SER 154 CO 0.01 0.37 0.17 0.00 -1.14 0.00 0.00 176.83 176.24 2bu9 h ALA 155 N 1.27 0.44 -0.69 3.77 0.00 -0.93 -2.12 119.26 121.00 2bu9 h ALA 155 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bu9 h ALA 155 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2bu9 h ALA 155 CO -0.12 -0.00 0.41 -0.07 0.00 0.00 0.00 179.25 179.47 2bu9 h LEU 156 N 0.42 0.83 -1.31 0.00 3.38 -0.76 -1.52 115.31 116.35 2bu9 h LEU 156 Ca 0.12 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2bu9 h LEU 156 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2bu9 h LEU 156 CO -0.02 0.64 -0.30 -0.07 0.09 0.00 0.00 178.44 178.79 2bu9 h LEU 157 N 0.95 0.00 -0.53 1.67 3.38 -0.76 0.10 115.31 120.12 2bu9 h LEU 157 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 2bu9 h LEU 157 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2bu9 h LEU 157 CO -0.05 0.30 0.01 0.11 0.09 0.00 0.00 178.44 178.90 2bu9 h LYS 158 N 0.00 0.92 -0.44 1.13 1.57 -0.61 -1.52 116.57 117.63 2bu9 h LYS 158 Ca -0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2bu9 h LYS 158 Cb 0.66 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2bu9 h LYS 158 CO 0.04 0.94 0.23 0.78 -0.57 0.00 0.00 179.45 180.87 2bu9 h GLY 159 N 0.80 0.66 1.05 3.86 0.00 -0.70 -1.56 103.07 107.17 2bu9 h GLY 159 Ca 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2bu9 h GLY 159 CO 0.03 0.30 0.48 -0.97 0.00 0.00 0.00 176.54 176.37 2bu9 h TYR 160 N 0.57 1.22 -0.10 5.60 0.05 -0.92 -0.69 116.97 122.71 2bu9 h TYR 160 Ca 0.15 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 2bu9 h TYR 160 Cb 0.08 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.42 2bu9 h TYR 160 CO -0.02 0.85 0.06 0.00 -1.05 0.00 0.00 178.16 178.00 2bu9 h ALA 161 N 1.28 0.12 -0.85 3.88 0.00 -1.13 -2.07 119.26 120.50 2bu9 h ALA 161 Ca 0.31 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2bu9 h ALA 161 Cb 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2bu9 h ALA 161 CO -0.05 -0.36 0.55 -0.07 0.00 0.00 0.00 179.25 179.32 2bu9 h LEU 162 N 0.09 0.94 -1.55 0.00 3.38 -1.15 -1.08 115.31 115.94 2bu9 h LEU 162 Ca 0.03 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2bu9 h LEU 162 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2bu9 h LEU 162 CO -0.01 0.66 0.41 0.00 0.09 0.00 0.00 178.44 179.59 2bu9 h ALA 163 N 1.33 1.87 -0.24 1.53 0.00 -0.81 -2.06 119.26 120.87 2bu9 h ALA 163 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2bu9 h ALA 163 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bu9 h ALA 163 CO -0.09 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.46 2bu9 n LEU 164 N -4.48 1.87 0.00 0.00 4.77 -0.81 -4.90 117.00 113.46 2bu9 n LEU 164 Ca 0.09 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2bu9 n LEU 164 Cb 0.28 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2bu9 n LEU 164 CO 0.34 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2bu9 n GLY 165 N 1.15 0.55 3.94 -0.72 0.00 -0.78 -4.93 105.19 104.40 2bu9 n GLY 165 Ca 0.15 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 2bu9 n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bu9 s LYS 166 N -1.03 2.57 0.62 1.61 -0.14 -0.47 -5.02 119.74 117.88 2bu9 s LYS 166 Ca 0.00 -1.51 -0.15 0.00 -1.36 0.00 0.00 55.97 52.95 2bu9 s LYS 166 Cb 0.00 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.63 2bu9 s LYS 166 CO 0.00 -0.35 1.08 -1.83 -0.76 0.00 0.00 175.35 173.48 2bu9 s GLU 167 N -4.29 3.10 0.53 1.68 4.04 -1.26 -3.87 118.70 118.63 2bu9 s GLU 167 Ca 0.51 1.25 0.30 0.00 0.04 0.00 0.00 54.97 57.07 2bu9 s GLU 167 Cb -0.06 -2.00 1.44 0.00 0.02 0.00 0.00 34.13 33.53 2bu9 s GLU 167 CO 0.30 -0.99 2.04 1.05 -1.84 0.00 0.00 175.26 175.82 2bu9 h GLU 168 N 0.20 0.00 -0.51 -4.83 4.11 -1.90 -1.93 114.58 109.72 2bu9 h GLU 168 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2bu9 h GLU 168 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2bu9 h GLU 168 CO 0.56 0.10 0.00 0.09 0.07 0.00 0.00 179.01 179.83 2bu9 n ASN 169 N -3.39 2.19 -0.20 3.06 3.02 -1.26 -4.10 115.26 114.58 2bu9 n ASN 169 Ca -0.01 -2.15 -0.05 0.00 -0.03 0.00 0.00 54.58 52.34 2bu9 n ASN 169 Cb 0.28 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 39.15 2bu9 n ASN 169 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2bu9 h PHE 170 N 1.76 0.66 0.06 3.10 3.57 -1.69 -1.05 116.94 123.36 2bu9 h PHE 170 Ca 0.00 0.02 -0.34 0.00 3.53 0.00 0.00 57.97 61.18 2bu9 h PHE 170 Cb 0.69 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2bu9 h PHE 170 CO 0.31 0.37 -1.93 1.19 -2.23 0.00 0.00 178.31 176.02 2bu9 n PHE 171 N -4.75 0.89 0.29 0.41 3.72 -1.26 -4.51 117.46 112.25 2bu9 n PHE 171 Ca 0.05 0.25 0.14 0.00 -0.05 0.00 0.00 57.45 57.84 2bu9 n PHE 171 Cb 0.09 -1.11 0.87 0.00 -0.94 0.00 0.00 39.48 38.39 2bu9 n PHE 171 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bu9 h ALA 172 N -0.19 1.54 0.00 4.37 0.00 -1.76 -0.55 119.26 122.66 2bu9 h ALA 172 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2bu9 h ALA 172 Cb 1.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2bu9 h ALA 172 CO -0.07 0.02 0.00 0.07 0.00 0.00 0.00 179.25 179.27 2bu9 h ARG 173 N 0.00 0.00 -0.28 0.00 0.11 -1.42 -1.26 114.38 111.53 2bu9 h ARG 173 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bu9 h ARG 173 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2bu9 h ARG 173 CO 0.00 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.79 2bu9 n HIS 174 N -2.57 0.34 -3.87 4.08 8.25 -0.22 -4.78 115.22 116.47 2bu9 n HIS 174 Ca 0.00 -0.18 -0.32 0.00 -0.26 0.00 0.00 57.72 56.97 2bu9 n HIS 174 Cb 0.20 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.18 2bu9 n HIS 174 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2bu9 s PHE 175 N -1.62 3.28 0.01 4.41 5.36 -0.48 -3.11 117.98 125.83 2bu9 s PHE 175 Ca 0.35 -3.00 0.06 0.00 -0.96 0.00 0.00 56.93 53.38 2bu9 s PHE 175 Cb 0.22 -2.96 -0.02 0.00 -0.34 0.00 0.00 43.02 39.92 2bu9 s PHE 175 CO 0.31 -0.78 -0.18 0.15 -1.46 0.00 0.00 175.22 173.25 2bu9 s LYS 176 N -0.18 1.37 0.38 10.12 1.02 -1.26 -4.92 119.74 126.27 2bu9 s LYS 176 Ca 0.17 -0.74 0.12 0.00 0.02 0.00 0.00 55.97 55.54 2bu9 s LYS 176 Cb -0.24 -1.38 0.93 0.00 -0.52 0.00 0.00 37.83 36.62 2bu9 s LYS 176 CO -0.02 0.37 1.87 -1.35 -0.92 0.00 0.00 175.35 175.30 2bu9 h PRO 177 N 5.37 0.55 0.00 -1.68 0.11 -1.98 -0.70 132.00 133.68 2bu9 h PRO 177 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2bu9 h PRO 177 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2bu9 h PRO 177 CO 0.46 0.37 0.00 -0.44 -0.21 0.00 0.00 178.00 178.18 2bu9 h ASP 178 N 0.57 0.00 0.00 -2.05 3.32 -1.98 -3.38 116.42 112.90 2bu9 h ASP 178 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2bu9 h ASP 178 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2bu9 h ASP 178 CO -0.19 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.43 2bu9 n ASP 179 N -3.07 0.07 -4.75 6.45 5.68 -0.87 -4.88 116.55 115.18 2bu9 n ASP 179 Ca 0.02 -0.84 -0.42 0.00 -0.50 0.00 0.00 54.79 53.06 2bu9 n ASP 179 Cb 0.42 0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.41 2bu9 n ASP 179 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2bu9 n THR 180 N -0.02 1.82 0.92 2.12 5.66 -0.32 -4.42 114.28 120.04 2bu9 n THR 180 Ca 0.00 -0.45 0.04 0.00 -3.05 0.00 0.00 64.05 60.59 2bu9 n THR 180 Cb 0.19 -1.84 0.14 0.00 -1.55 0.00 0.00 70.33 67.26 2bu9 n THR 180 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2bu9 n LEU 181 N 0.85 1.80 -4.72 1.09 4.77 -0.57 -4.52 117.00 115.70 2bu9 n LEU 181 Ca 0.04 -0.90 -0.36 0.00 -0.03 0.00 0.00 56.01 54.75 2bu9 n LEU 181 Cb 0.37 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2bu9 n LEU 181 CO 0.63 0.39 0.86 0.00 -1.33 0.00 0.00 177.39 177.95 2bu9 s ALA 182 N -1.62 2.22 0.05 -1.18 0.00 -1.24 -4.69 121.76 115.29 2bu9 s ALA 182 Ca 0.20 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.28 2bu9 s ALA 182 Cb 0.11 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2bu9 s ALA 182 CO 0.12 -1.79 -0.09 -1.54 0.00 0.00 0.00 175.76 172.47 2bu9 s SER 183 N -1.64 0.98 -0.10 0.00 1.04 -1.05 -3.65 113.70 109.28 2bu9 s SER 183 Ca 0.79 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 2bu9 s SER 183 Cb -0.34 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2bu9 s SER 183 CO 0.43 -0.18 0.01 -0.69 0.98 0.00 0.00 173.24 173.79 2bu9 s VAL 184 N -1.34 4.41 -0.13 5.02 1.01 -0.34 -1.13 120.40 127.90 2bu9 s VAL 184 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2bu9 s VAL 184 Cb -0.10 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.42 2bu9 s VAL 184 CO 0.01 0.59 -0.21 -0.69 0.00 0.00 0.00 175.10 174.80 2bu9 s VAL 185 N -0.69 1.94 -0.69 2.92 1.01 -0.73 -1.62 120.40 122.53 2bu9 s VAL 185 Ca 0.11 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 2bu9 s VAL 185 Cb -0.12 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.72 2bu9 s VAL 185 CO 0.02 0.53 0.62 -0.76 0.00 0.00 0.00 175.10 175.51 2bu9 s LEU 186 N 0.80 6.38 -0.15 3.92 1.43 0.27 -3.25 118.68 128.09 2bu9 s LEU 186 Ca -0.08 -2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 50.51 2bu9 s LEU 186 Cb -0.16 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2bu9 s LEU 186 CO -0.01 -0.66 0.39 -0.63 0.23 0.00 0.00 176.35 175.67 2bu9 s ILE 187 N 0.72 5.24 -0.27 -0.59 1.01 -0.42 -1.80 121.20 125.08 2bu9 s ILE 187 Ca 0.12 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 2bu9 s ILE 187 Cb -0.19 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2bu9 s ILE 187 CO -0.04 0.34 0.09 -0.60 0.00 0.00 0.00 174.94 174.73 2bu9 s ARG 188 N 0.68 3.44 -0.23 2.79 3.52 0.07 -2.03 118.95 127.19 2bu9 s ARG 188 Ca 0.21 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 55.09 2bu9 s ARG 188 Cb -0.14 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 2bu9 s ARG 188 CO 0.07 -0.30 0.13 0.71 -0.81 0.00 0.00 175.30 175.10 2bu9 s TYR 189 N 1.58 3.27 0.34 5.12 2.02 -0.49 -2.26 117.35 126.93 2bu9 s TYR 189 Ca 0.05 0.11 -0.09 0.00 -0.37 0.00 0.00 57.07 56.77 2bu9 s TYR 189 Cb -0.16 -2.22 -0.07 0.00 -0.40 0.00 0.00 41.96 39.11 2bu9 s TYR 189 CO 0.04 0.03 0.68 -1.25 -1.57 0.00 0.00 175.55 173.48 2bu9 s PRO 190 N 0.98 3.77 -0.03 -1.71 0.04 -1.26 -0.91 135.00 135.88 2bu9 s PRO 190 Ca 0.06 0.35 -0.28 0.00 0.04 0.00 0.00 61.00 61.17 2bu9 s PRO 190 Cb -0.13 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2bu9 s PRO 190 CO 0.04 0.10 0.92 -0.47 0.04 0.00 0.00 177.00 177.62 2bu9 s TYR 191 N -2.18 3.62 -0.02 0.56 5.04 -1.25 -4.05 117.35 119.07 2bu9 s TYR 191 Ca 0.49 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.71 2bu9 s TYR 191 Cb -0.10 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.16 2bu9 s TYR 191 CO 0.28 -0.02 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.90 2bu9 s LEU 192 N 1.10 1.75 -0.25 6.97 1.43 -1.26 -4.91 118.68 123.51 2bu9 s LEU 192 Ca 0.48 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2bu9 s LEU 192 Cb -0.20 -0.39 0.08 0.00 0.03 0.00 0.00 46.19 45.71 2bu9 s LEU 192 CO 0.24 0.03 0.09 -0.62 0.23 0.00 0.00 176.35 176.32 2bu9 s ASP 193 N 0.26 3.29 0.53 2.29 2.15 -1.26 -2.92 116.67 121.00 2bu9 s ASP 193 Ca -0.03 -1.13 -0.15 0.00 0.43 0.00 0.00 52.55 51.67 2bu9 s ASP 193 Cb -0.07 -0.53 -0.07 0.00 -0.30 0.00 0.00 42.92 41.94 2bu9 s ASP 193 CO -0.00 -0.38 0.99 -2.16 -0.17 0.00 0.00 175.17 173.44 2bu9 s PRO 194 N 1.92 3.87 -0.19 4.34 0.04 -1.26 -5.13 135.00 138.60 2bu9 s PRO 194 Ca 0.05 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 61.78 2bu9 s PRO 194 Cb -0.17 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2bu9 s PRO 194 CO -0.21 -0.32 0.59 -0.47 0.04 0.00 0.00 177.00 176.63 2bu9 s TYR 195 N -2.73 3.39 0.15 0.56 6.14 -1.15 -5.01 117.35 118.70 2bu9 s TYR 195 Ca 0.58 0.90 -0.30 0.00 0.64 0.00 0.00 57.07 58.88 2bu9 s TYR 195 Cb -0.10 -2.74 -0.07 0.00 0.42 0.00 0.00 41.96 39.46 2bu9 s TYR 195 CO 0.36 -0.11 1.21 -1.25 0.64 0.00 0.00 175.55 176.40 2bu9 s PRO 196 N 1.67 4.46 0.45 4.97 0.04 -1.26 -4.89 135.00 140.45 2bu9 s PRO 196 Ca 0.28 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.28 2bu9 s PRO 196 Cb -0.16 -3.27 1.01 0.00 0.04 0.00 0.00 34.50 32.13 2bu9 s PRO 196 CO 0.11 -0.16 2.09 0.93 0.04 0.00 0.00 177.00 180.00 2bu9 h GLU 197 N 5.77 0.35 -0.03 4.56 4.39 -1.93 -0.54 114.58 127.15 2bu9 h GLU 197 Ca -0.44 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.25 2bu9 h GLU 197 Cb 1.21 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2bu9 h GLU 197 CO 0.77 0.23 0.07 0.00 -1.16 0.00 0.00 179.01 178.92 2bu9 h ALA 198 N 1.83 1.34 -0.51 3.43 0.00 -1.87 -0.65 119.26 122.82 2bu9 h ALA 198 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2bu9 h ALA 198 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bu9 h ALA 198 CO -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2bu9 n ALA 199 N -2.18 2.42 -3.43 0.00 0.00 -0.21 -4.78 120.51 112.34 2bu9 n ALA 199 Ca -0.02 -0.96 -0.33 0.00 0.00 0.00 0.00 53.44 52.13 2bu9 n ALA 199 Cb 0.15 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.50 2bu9 n ALA 199 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bu9 s ILE 200 N -1.32 2.70 0.30 0.00 1.01 -0.25 -4.75 121.20 118.89 2bu9 s ILE 200 Ca 0.38 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.32 2bu9 s ILE 200 Cb 0.20 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2bu9 s ILE 200 CO 0.27 0.51 0.44 -0.54 0.00 0.00 0.00 174.94 175.63 2bu9 s LYS 201 N 0.79 3.29 -0.11 2.79 1.02 0.02 -4.92 119.74 122.62 2bu9 s LYS 201 Ca -0.05 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.15 2bu9 s LYS 201 Cb -0.15 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2bu9 s LYS 201 CO 0.00 0.21 -0.12 0.99 -0.92 0.00 0.00 175.35 175.52 2bu9 s THR 202 N -2.13 1.26 0.80 2.17 2.01 -1.26 -0.61 115.64 117.88 2bu9 s THR 202 Ca 0.40 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 2bu9 s THR 202 Cb -0.09 -1.20 0.07 0.00 0.01 0.00 0.00 72.50 71.29 2bu9 s THR 202 CO 0.31 0.40 1.09 0.00 -0.69 0.00 0.00 174.62 175.73 2bu9 s ALA 203 N 1.26 2.14 0.43 7.40 0.00 0.12 -4.91 121.76 128.20 2bu9 s ALA 203 Ca -0.02 0.04 0.14 0.00 0.00 0.00 0.00 51.96 52.12 2bu9 s ALA 203 Cb -0.14 -3.20 1.03 0.00 0.00 0.00 0.00 23.12 20.82 2bu9 s ALA 203 CO -0.04 -1.81 1.97 0.00 0.00 0.00 0.00 175.76 175.87 2bu9 h ALA 204 N -1.16 2.04 -0.11 0.00 0.00 -2.01 0.32 119.26 118.35 2bu9 h ALA 204 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2bu9 h ALA 204 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2bu9 h ALA 204 CO 0.55 -0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 2bu9 n ASP 205 N -4.47 0.83 0.00 0.00 5.68 -1.26 -4.89 116.55 112.44 2bu9 n ASP 205 Ca 0.11 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 2bu9 n ASP 205 Cb 0.41 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2bu9 n ASP 205 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bu9 n GLY 206 N 0.89 0.92 3.75 6.12 0.00 0.10 -5.04 105.19 111.92 2bu9 n GLY 206 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2bu9 n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bu9 s THR 207 N -2.38 2.89 0.03 2.61 2.01 -1.26 -4.65 115.64 114.89 2bu9 s THR 207 Ca 0.00 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 2bu9 s THR 207 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2bu9 s THR 207 CO 0.00 0.13 0.96 -0.54 -0.69 0.00 0.00 174.62 174.47 2bu9 s LYS 208 N -0.46 4.59 0.11 4.92 1.02 -1.26 -0.71 119.74 127.96 2bu9 s LYS 208 Ca 0.57 1.40 0.08 0.00 0.02 0.00 0.00 55.97 58.04 2bu9 s LYS 208 Cb -0.39 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 2bu9 s LYS 208 CO 0.42 0.04 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.19 2bu9 s LEU 209 N 0.68 2.32 0.07 3.17 1.43 0.22 -0.98 118.68 125.59 2bu9 s LEU 209 Ca 0.50 -0.71 0.20 0.00 -1.03 0.00 0.00 54.13 53.08 2bu9 s LEU 209 Cb -0.22 -0.84 -0.14 0.00 0.03 0.00 0.00 46.19 45.03 2bu9 s LEU 209 CO 0.28 0.03 0.77 -1.20 0.23 0.00 0.00 176.35 176.46 2bu9 n SER 210 N 0.97 0.63 -3.68 2.29 7.64 0.44 -0.80 113.62 121.10 2bu9 n SER 210 Ca -0.19 0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 2bu9 n SER 210 Cb 0.54 0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 64.32 2bu9 n SER 210 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2bu9 s PHE 211 N -3.14 -0.67 0.96 1.43 5.36 -1.07 -4.87 117.98 115.97 2bu9 s PHE 211 Ca -0.04 1.56 -0.13 0.00 -0.96 0.00 0.00 56.93 57.36 2bu9 s PHE 211 Cb 0.10 0.27 0.17 0.00 -0.34 0.00 0.00 43.02 43.21 2bu9 s PHE 211 CO 0.82 -0.33 1.15 -1.21 -1.46 0.00 0.00 175.22 174.19 2bu9 s GLU 212 N 0.60 0.74 0.43 10.12 0.41 -1.26 -1.72 118.70 128.03 2bu9 s GLU 212 Ca -0.02 0.21 -0.24 0.00 -0.41 0.00 0.00 54.97 54.50 2bu9 s GLU 212 Cb -0.05 -1.80 -0.10 0.00 -1.78 0.00 0.00 34.13 30.41 2bu9 s GLU 212 CO -0.03 -2.45 1.13 -2.67 -0.49 0.00 0.00 175.26 170.75 2bu9 n TRP 213 N -3.93 1.62 -3.60 1.61 4.27 -1.26 -4.60 117.44 111.55 2bu9 n TRP 213 Ca 0.08 0.53 -0.07 0.00 -3.89 0.00 0.00 57.50 54.15 2bu9 n TRP 213 Cb 0.59 -2.29 -0.02 0.00 -1.36 0.00 0.00 31.31 28.23 2bu9 n TRP 213 CO 0.00 0.00 0.00 -3.38 -2.29 0.00 0.00 177.69 172.02 2bu9 s HIS 214 N -1.25 -0.27 0.02 -2.67 -3.43 -0.60 -4.96 115.29 102.13 2bu9 s HIS 214 Ca 0.63 0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.94 2bu9 s HIS 214 Cb -0.53 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 2bu9 s HIS 214 CO 0.57 -0.69 0.16 -1.21 -2.00 0.00 0.00 174.74 171.57 2bu9 s GLU 215 N -3.24 3.33 0.44 -0.38 2.02 -1.26 -1.70 118.70 117.91 2bu9 s GLU 215 Ca 0.08 -0.41 -0.24 0.00 0.02 0.00 0.00 54.97 54.42 2bu9 s GLU 215 Cb -0.01 -3.01 -0.08 0.00 0.10 0.00 0.00 34.13 31.13 2bu9 s GLU 215 CO -0.05 0.65 1.15 -0.51 0.02 0.00 0.00 175.26 176.52 2bu9 s ASP 216 N -2.09 6.35 -0.78 -0.19 1.01 -1.26 -4.90 116.67 114.81 2bu9 s ASP 216 Ca 0.29 2.27 -0.18 0.00 0.71 0.00 0.00 52.55 55.64 2bu9 s ASP 216 Cb -0.13 -2.60 0.14 0.00 1.01 0.00 0.00 42.92 41.34 2bu9 s ASP 216 CO 0.21 -0.79 0.90 -0.69 0.21 0.00 0.00 175.17 175.01 2bu9 s VAL 217 N -1.54 4.94 -0.08 -1.27 1.01 -1.26 -1.07 120.40 121.15 2bu9 s VAL 217 Ca 0.61 -1.54 -0.32 0.00 0.00 0.00 0.00 61.98 60.73 2bu9 s VAL 217 Cb -0.28 -4.61 0.13 0.00 0.00 0.00 0.00 36.38 31.62 2bu9 s VAL 217 CO 0.34 -1.27 1.25 -0.94 0.00 0.00 0.00 175.10 174.48 2bu9 s SER 218 N 3.28 -0.09 -0.06 3.32 1.04 -1.26 -4.92 113.70 115.01 2bu9 s SER 218 Ca 0.22 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 2bu9 s SER 218 Cb -0.13 0.16 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 2bu9 s SER 218 CO -0.03 -0.29 0.41 0.25 0.98 0.00 0.00 173.24 174.56 2bu9 h LEU 219 N 2.00 -0.30 -8.61 2.42 5.85 -1.35 -2.46 115.31 112.86 2bu9 h LEU 219 Ca -0.22 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.22 2bu9 h LEU 219 Cb 1.19 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 2bu9 h LEU 219 CO 0.26 0.16 -0.68 0.27 -0.34 0.00 0.00 178.44 178.11 2bu9 s ILE 220 N -2.70 0.78 -0.07 4.05 -4.36 -1.23 -1.12 121.20 116.54 2bu9 s ILE 220 Ca -0.05 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 2bu9 s ILE 220 Cb 0.01 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 2bu9 s ILE 220 CO 0.16 -0.63 -0.25 -0.89 0.24 0.00 0.00 174.94 173.58 2bu9 s THR 221 N -3.58 2.05 -0.31 8.37 2.01 0.25 -0.99 115.64 123.44 2bu9 s THR 221 Ca 0.19 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2bu9 s THR 221 Cb 0.05 -1.75 0.09 0.00 0.01 0.00 0.00 72.50 70.91 2bu9 s THR 221 CO 0.01 0.56 0.04 -0.69 -0.69 0.00 0.00 174.62 173.86 2bu9 s VAL 222 N 0.04 1.79 -0.12 3.82 1.01 -0.27 -2.55 120.40 124.12 2bu9 s VAL 222 Ca -0.10 -1.90 0.02 0.00 0.00 0.00 0.00 61.98 60.00 2bu9 s VAL 222 Cb -0.15 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 2bu9 s VAL 222 CO 0.06 -0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 174.23 2bu9 s LEU 223 N 1.17 2.35 -0.16 3.92 2.96 -0.03 -1.20 118.68 127.71 2bu9 s LEU 223 Ca 0.07 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2bu9 s LEU 223 Cb -0.19 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2bu9 s LEU 223 CO -0.12 0.14 0.09 -0.47 -1.32 0.00 0.00 176.35 174.66 2bu9 s TYR 224 N 0.49 3.37 0.11 5.38 5.04 -1.04 -0.60 117.35 130.11 2bu9 s TYR 224 Ca -0.13 0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.81 2bu9 s TYR 224 Cb -0.17 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 2bu9 s TYR 224 CO 0.05 0.38 -0.09 -0.65 -1.34 0.00 0.00 175.55 173.90 2bu9 s GLN 225 N -0.17 0.91 1.12 4.97 -0.21 -1.26 -0.24 119.66 124.77 2bu9 s GLN 225 Ca 0.09 -1.28 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 2bu9 s GLN 225 Cb -0.12 -0.50 0.23 0.00 1.00 0.00 0.00 33.01 33.61 2bu9 s GLN 225 CO 0.01 0.06 0.85 0.43 -2.12 0.00 0.00 175.29 174.52 2bu9 n SER 226 N 0.22 -1.52 -3.44 5.90 7.64 -0.82 -4.13 113.62 117.47 2bu9 n SER 226 Ca -0.14 -0.04 -0.40 0.00 1.01 0.00 0.00 58.87 59.31 2bu9 n SER 226 Cb 0.59 -1.25 -0.01 0.00 -1.01 0.00 0.00 64.21 62.53 2bu9 n SER 226 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2bu9 n ASN 227 N -4.15 8.09 -3.80 6.43 5.15 -1.26 -4.64 115.26 121.08 2bu9 n ASN 227 Ca 0.04 -2.93 -0.25 0.00 -0.60 0.00 0.00 54.58 50.85 2bu9 n ASN 227 Cb 0.55 -1.44 -0.17 0.00 -0.53 0.00 0.00 39.78 38.18 2bu9 n ASN 227 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2bu9 s VAL 228 N 0.20 0.57 0.18 3.44 1.01 -1.26 -5.01 120.40 119.53 2bu9 s VAL 228 Ca 0.59 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 2bu9 s VAL 228 Cb 0.18 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 2bu9 s VAL 228 CO -0.08 0.21 1.48 -1.58 0.00 0.00 0.00 175.10 175.13 2bu9 s GLN 229 N 1.88 4.26 0.00 2.72 -0.44 -1.26 -4.83 119.66 121.99 2bu9 s GLN 229 Ca 0.04 2.27 0.00 0.00 -2.50 0.00 0.00 55.36 55.16 2bu9 s GLN 229 Cb -0.13 -3.16 0.00 0.00 -1.64 0.00 0.00 33.01 28.07 2bu9 s GLN 229 CO -0.06 -0.50 0.00 0.27 0.50 0.00 0.00 175.29 175.50 2bu9 n ASN 230 N 3.45 0.00 -4.85 6.67 0.23 -1.26 -4.96 115.26 114.54 2bu9 n ASN 230 Ca 0.11 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.83 2bu9 n ASN 230 Cb 0.40 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 2bu9 n ASN 230 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2bu9 s LEU 231 N -0.55 4.18 0.01 -4.53 1.43 -1.26 -0.84 118.68 117.13 2bu9 s LEU 231 Ca 0.00 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.33 2bu9 s LEU 231 Cb 0.00 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 2bu9 s LEU 231 CO 0.00 -0.08 -0.13 -1.10 0.23 0.00 0.00 176.35 175.27 2bu9 s GLN 232 N -2.59 0.94 -0.08 1.70 -0.21 -0.67 -1.09 119.66 117.67 2bu9 s GLN 232 Ca 0.48 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 55.32 2bu9 s GLN 232 Cb -0.12 -0.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 2bu9 s GLN 232 CO 0.19 0.24 -0.19 0.54 -2.12 0.00 0.00 175.29 173.95 2bu9 s VAL 233 N -0.56 2.57 -0.09 1.09 0.11 -0.27 -1.33 120.40 121.93 2bu9 s VAL 233 Ca 0.03 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 2bu9 s VAL 233 Cb -0.06 -2.00 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 2bu9 s VAL 233 CO 0.00 0.56 1.01 -0.70 -3.33 0.00 0.00 175.10 172.65 2bu9 s GLU 234 N -0.14 4.44 0.44 1.54 2.12 -0.17 -0.75 118.70 126.18 2bu9 s GLU 234 Ca -0.03 1.41 0.03 0.00 0.36 0.00 0.00 54.97 56.75 2bu9 s GLU 234 Cb -0.14 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2bu9 s GLU 234 CO 0.04 -0.28 0.04 0.95 -0.54 0.00 0.00 175.26 175.47 2bu9 s THR 235 N 1.86 1.18 0.56 -1.70 -4.23 -0.29 -4.64 115.64 108.38 2bu9 s THR 235 Ca 0.49 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.36 2bu9 s THR 235 Cb -0.19 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.58 2bu9 s THR 235 CO 0.20 0.00 2.26 0.00 -0.54 0.00 0.00 174.62 176.54 2bu9 h ALA 236 N 1.65 1.23 -0.41 3.99 0.00 -1.97 0.20 119.26 123.95 2bu9 h ALA 236 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bu9 h ALA 236 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bu9 h ALA 236 CO 0.70 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2bu9 n ALA 237 N -2.20 2.83 0.00 0.00 0.00 -1.26 -5.06 120.51 114.82 2bu9 n ALA 237 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2bu9 n ALA 237 Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2bu9 n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bu9 n GLY 238 N 0.86 -2.59 3.74 0.00 0.00 0.69 -4.93 105.19 102.95 2bu9 n GLY 238 Ca 0.16 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 2bu9 n GLY 238 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bu9 s TYR 239 N -0.34 3.38 0.06 1.61 2.02 -1.26 -1.14 117.35 121.69 2bu9 s TYR 239 Ca 0.00 1.37 0.06 0.00 -0.37 0.00 0.00 57.07 58.13 2bu9 s TYR 239 Cb 0.00 -3.47 -0.03 0.00 -0.40 0.00 0.00 41.96 38.06 2bu9 s TYR 239 CO 0.00 -1.37 -0.17 -0.65 -1.57 0.00 0.00 175.55 171.79 2bu9 s GLN 240 N -0.16 1.07 -0.05 -0.62 -0.21 0.07 -4.56 119.66 115.20 2bu9 s GLN 240 Ca 0.54 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 2bu9 s GLN 240 Cb -0.33 -1.16 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 2bu9 s GLN 240 CO 0.37 0.28 0.98 -0.51 -2.12 0.00 0.00 175.29 174.29 2bu9 s ASP 241 N -1.42 7.31 -0.27 5.90 1.01 -0.49 -1.12 116.67 127.59 2bu9 s ASP 241 Ca 0.03 1.59 -0.24 0.00 0.71 0.00 0.00 52.55 54.65 2bu9 s ASP 241 Cb -0.09 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 2bu9 s ASP 241 CO 0.02 -0.33 0.81 -0.63 0.21 0.00 0.00 175.17 175.25 2bu9 s ILE 242 N 1.42 4.81 0.40 0.77 1.01 -0.25 -0.83 121.20 128.53 2bu9 s ILE 242 Ca 0.50 1.39 -0.27 0.00 0.00 0.00 0.00 60.65 62.27 2bu9 s ILE 242 Cb -0.20 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 2bu9 s ILE 242 CO 0.24 -0.16 1.44 -0.70 0.00 0.00 0.00 174.94 175.75 2bu9 s GLU 243 N 2.92 4.00 0.60 2.79 2.12 -1.26 -4.43 118.70 125.43 2bu9 s GLU 243 Ca 0.34 2.47 -0.15 0.00 0.36 0.00 0.00 54.97 57.98 2bu9 s GLU 243 Cb -0.15 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 2bu9 s GLU 243 CO 0.10 -0.58 1.05 0.00 -0.54 0.00 0.00 175.26 175.29 2bu9 s ALA 244 N -1.16 2.76 -0.34 6.30 0.00 -1.26 -5.03 121.76 123.04 2bu9 s ALA 244 Ca 0.55 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.89 2bu9 s ALA 244 Cb -0.44 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 19.65 2bu9 s ALA 244 CO 0.59 -0.81 0.70 0.34 0.00 0.00 0.00 175.76 176.58 2bu9 s ASP 245 N -2.92 -1.35 0.00 0.00 -1.08 -1.26 -5.01 116.67 105.06 2bu9 s ASP 245 Ca 0.63 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.46 2bu9 s ASP 245 Cb -0.15 1.78 0.00 0.00 -1.46 0.00 0.00 42.92 43.09 2bu9 s ASP 245 CO 0.38 -0.21 0.77 -0.90 0.52 0.00 0.00 175.17 175.74 2bu9 n ASP 246 N 4.88 0.42 -0.02 -0.34 5.75 -1.26 -2.94 116.55 123.06 2bu9 n ASP 246 Ca 0.08 -1.96 0.08 0.00 -0.01 0.00 0.00 54.79 52.97 2bu9 n ASP 246 Cb 0.56 -0.21 -0.15 0.00 -1.03 0.00 0.00 41.12 40.29 2bu9 n ASP 246 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2bu9 n THR 247 N -0.28 0.13 -3.86 2.12 -2.24 -1.26 -4.85 114.28 104.04 2bu9 n THR 247 Ca 0.00 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.09 2bu9 n THR 247 Cb 0.11 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 2bu9 n THR 247 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2bu9 s GLY 248 N -4.32 2.03 -0.20 3.38 0.00 -1.15 -4.89 107.32 102.17 2bu9 s GLY 248 Ca -0.07 -1.85 -0.09 0.00 0.00 0.00 0.00 44.72 42.70 2bu9 s GLY 248 CO 0.79 -1.72 0.12 -0.19 0.00 0.00 0.00 173.10 172.10 2bu9 s TYR 249 N -2.44 3.35 -0.17 1.90 2.02 -0.80 -4.73 117.35 116.49 2bu9 s TYR 249 Ca 0.42 0.24 -0.26 0.00 -0.37 0.00 0.00 57.07 57.11 2bu9 s TYR 249 Cb -0.02 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2bu9 s TYR 249 CO 0.25 0.21 0.87 -1.17 -1.57 0.00 0.00 175.55 174.14 2bu9 s LEU 250 N 0.50 4.17 -0.06 -1.29 2.96 0.23 -0.31 118.68 124.89 2bu9 s LEU 250 Ca 0.07 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 2bu9 s LEU 250 Cb -0.12 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 2bu9 s LEU 250 CO -0.00 -0.43 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.84 2bu9 s ILE 251 N 2.23 3.14 0.12 6.68 -1.09 0.19 -0.85 121.20 131.63 2bu9 s ILE 251 Ca 0.40 -0.69 -0.14 0.00 -2.23 0.00 0.00 60.65 57.99 2bu9 s ILE 251 Cb -0.17 -2.24 0.02 0.00 -1.58 0.00 0.00 42.46 38.50 2bu9 s ILE 251 CO 0.12 0.59 0.35 0.54 -1.23 0.00 0.00 174.94 175.31 2bu9 s ASN 252 N -0.68 -0.13 0.47 3.58 4.22 -1.06 -2.15 114.94 119.20 2bu9 s ASN 252 Ca 0.10 -0.44 -0.20 0.00 -2.14 0.00 0.00 52.86 50.18 2bu9 s ASN 252 Cb -0.11 0.45 -0.09 0.00 1.28 0.00 0.00 41.25 42.77 2bu9 s ASN 252 CO 0.01 -0.84 0.99 0.00 -2.04 0.00 0.00 177.10 175.22 2bu9 s GLY 254 N -2.25 2.15 0.39 0.00 0.00 -0.28 -4.06 107.32 103.27 2bu9 s GLY 254 Ca 0.64 -1.61 0.28 0.00 0.00 0.00 0.00 44.72 44.03 2bu9 s GLY 254 CO 0.19 -1.83 1.84 1.48 0.00 0.00 0.00 173.10 174.78 2bu9 h SER 255 N 0.61 0.00 -0.54 1.64 4.64 -0.95 -1.91 113.55 117.03 2bu9 h SER 255 Ca -0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 2bu9 h SER 255 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2bu9 h SER 255 CO 0.52 0.00 -0.05 0.22 -0.87 0.00 0.00 176.83 176.65 2bu9 h TYR 256 N 0.00 1.11 -0.79 4.77 3.20 -1.71 -1.49 116.97 122.07 2bu9 h TYR 256 Ca 0.00 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 2bu9 h TYR 256 Cb 0.43 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2bu9 h TYR 256 CO 0.00 1.01 0.39 1.98 -1.64 0.00 0.00 178.16 179.90 2bu9 h MET 257 N 0.92 1.13 -0.58 1.82 4.05 -1.50 -0.53 114.93 120.24 2bu9 h MET 257 Ca 0.15 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2bu9 h MET 257 Cb 0.60 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 2bu9 h MET 257 CO 0.04 0.87 0.33 0.00 0.23 0.00 0.00 176.91 178.37 2bu9 h ALA 258 N 1.20 0.75 0.33 0.39 0.00 -1.33 -1.17 119.26 119.43 2bu9 h ALA 258 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2bu9 h ALA 258 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2bu9 h ALA 258 CO -0.04 0.26 -0.16 1.25 0.00 0.00 0.00 179.25 180.56 2bu9 h HIS 259 N 0.79 -0.42 -0.14 0.00 6.17 -0.87 0.94 115.15 121.61 2bu9 h HIS 259 Ca 0.21 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 2bu9 h HIS 259 Cb 0.03 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 2bu9 h HIS 259 CO -0.01 -0.24 0.08 -0.07 0.71 0.00 0.00 177.93 178.39 2bu9 h LEU 260 N -0.47 0.17 -2.73 0.26 3.38 -0.85 -2.78 115.31 112.29 2bu9 h LEU 260 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2bu9 h LEU 260 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2bu9 h LEU 260 CO 0.08 0.14 0.00 0.35 0.09 0.00 0.00 178.44 179.10 2bu9 n THR 261 N -4.50 0.95 -3.90 0.22 -2.24 -0.47 -0.77 114.28 103.57 2bu9 n THR 261 Ca -0.01 -0.97 -0.27 0.00 -2.27 0.00 0.00 64.05 60.53 2bu9 n THR 261 Cb 0.10 0.55 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 2bu9 n THR 261 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bu9 n ASN 262 N 1.41 -2.05 -0.62 3.42 5.15 -0.78 -1.76 115.26 120.02 2bu9 n ASN 262 Ca 0.21 -0.89 -0.08 0.00 -0.60 0.00 0.00 54.58 53.22 2bu9 n ASN 262 Cb 0.58 -3.53 -0.03 0.00 -0.53 0.00 0.00 39.78 36.26 2bu9 n ASN 262 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2bu9 n ASN 263 N -2.93 -5.08 -0.09 1.20 5.15 0.26 -4.88 115.26 108.89 2bu9 n ASN 263 Ca -0.17 0.20 -0.09 0.00 -0.60 0.00 0.00 54.58 53.92 2bu9 n ASN 263 Cb 0.62 -3.29 -0.02 0.00 -0.53 0.00 0.00 39.78 36.56 2bu9 n ASN 263 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2bu9 h TYR 264 N 0.00 0.43 -3.38 1.20 3.20 -1.60 -3.27 116.97 113.54 2bu9 h TYR 264 Ca -0.17 -0.01 -0.74 0.00 3.14 0.00 0.00 58.73 60.95 2bu9 h TYR 264 Cb 0.90 -0.14 -0.28 0.00 1.54 0.00 0.00 36.73 38.75 2bu9 h TYR 264 CO 0.46 0.34 -0.26 0.71 -1.64 0.00 0.00 178.16 177.77 2bu9 s TYR 265 N -5.87 3.45 0.69 -3.82 2.02 -1.26 -4.69 117.35 107.87 2bu9 s TYR 265 Ca -0.13 -1.87 -0.14 0.00 -0.37 0.00 0.00 57.07 54.56 2bu9 s TYR 265 Cb 0.09 -3.59 0.01 0.00 -0.40 0.00 0.00 41.96 38.07 2bu9 s TYR 265 CO 0.72 -0.98 1.12 0.15 -1.57 0.00 0.00 175.55 174.99 2bu9 s LYS 266 N 1.02 2.62 -0.47 -0.62 1.02 -1.24 -3.33 119.74 118.74 2bu9 s LYS 266 Ca 0.09 1.41 -0.25 0.00 0.02 0.00 0.00 55.97 57.24 2bu9 s LYS 266 Cb -0.23 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2bu9 s LYS 266 CO -0.02 -1.40 0.88 0.00 -0.92 0.00 0.00 175.35 173.90 2bu9 s ALA 267 N -2.37 3.24 0.29 5.17 0.00 -1.26 -4.61 121.76 122.21 2bu9 s ALA 267 Ca 0.67 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 2bu9 s ALA 267 Cb -0.21 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 2bu9 s ALA 267 CO 0.44 -2.06 1.26 -1.25 0.00 0.00 0.00 175.76 174.15 2bu9 s PRO 268 N 3.63 4.42 -0.01 0.00 0.04 -1.26 -4.86 135.00 136.97 2bu9 s PRO 268 Ca 0.34 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 2bu9 s PRO 268 Cb -0.11 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2bu9 s PRO 268 CO 0.24 -0.12 1.11 0.42 0.04 0.00 0.00 177.00 178.69 2bu9 s ILE 269 N -0.82 4.42 0.15 0.56 1.01 -1.26 -4.58 121.20 120.69 2bu9 s ILE 269 Ca 0.50 1.74 -0.05 0.00 0.00 0.00 0.00 60.65 62.84 2bu9 s ILE 269 Cb -0.37 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 2bu9 s ILE 269 CO 0.47 0.08 0.16 -1.38 0.00 0.00 0.00 174.94 174.27 2bu9 s HIS 270 N 1.46 0.67 0.15 3.97 -3.43 -0.69 -1.00 115.29 116.42 2bu9 s HIS 270 Ca 0.55 -1.03 -0.09 0.00 -0.80 0.00 0.00 55.06 53.69 2bu9 s HIS 270 Cb -0.24 -0.29 -0.01 0.00 -1.43 0.00 0.00 32.58 30.61 2bu9 s HIS 270 CO 0.26 -0.62 0.27 -0.98 -2.00 0.00 0.00 174.74 171.67 2bu9 s ARG 271 N -4.02 1.11 -0.26 -0.38 1.70 -0.44 -1.56 118.95 115.10 2bu9 s ARG 271 Ca 0.22 -1.13 -0.03 0.00 -0.47 0.00 0.00 55.73 54.32 2bu9 s ARG 271 Cb 0.05 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2bu9 s ARG 271 CO 0.02 -0.40 -0.03 0.08 -1.08 0.00 0.00 175.30 173.89 2bu9 s VAL 272 N -3.95 3.10 0.49 4.99 1.01 -0.70 -1.67 120.40 123.68 2bu9 s VAL 272 Ca 0.15 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 2bu9 s VAL 272 Cb 0.03 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2bu9 s VAL 272 CO -0.02 0.15 1.20 -0.54 0.00 0.00 0.00 175.10 175.89 2bu9 s LYS 273 N 1.35 3.59 0.01 2.72 1.02 -0.02 -0.42 119.74 127.99 2bu9 s LYS 273 Ca 0.00 1.85 -0.30 0.00 0.02 0.00 0.00 55.97 57.54 2bu9 s LYS 273 Cb -0.17 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.74 2bu9 s LYS 273 CO -0.03 -0.71 1.59 -0.46 -0.92 0.00 0.00 175.35 174.82 2bu9 s TRP 274 N -1.52 2.36 -0.03 3.18 -0.00 -0.15 -4.10 118.94 118.67 2bu9 s TRP 274 Ca 0.66 0.39 0.01 0.00 -0.00 0.00 0.00 56.10 57.17 2bu9 s TRP 274 Cb -0.31 -3.87 0.02 0.00 -0.00 0.00 0.00 33.47 29.31 2bu9 s TRP 274 CO 0.37 -3.52 -0.05 0.08 -0.00 0.00 0.00 176.95 173.83 2bu9 s VAL 275 N 3.10 0.52 -1.15 5.86 1.01 -1.26 -4.85 120.40 123.63 2bu9 s VAL 275 Ca 0.71 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 2bu9 s VAL 275 Cb -0.35 -0.53 0.14 0.00 0.00 0.00 0.00 36.38 35.64 2bu9 s VAL 275 CO 0.30 0.21 1.42 0.21 0.00 0.00 0.00 175.10 177.23 2bu9 s ASN 276 N 0.68 6.90 -0.10 3.32 3.84 -1.26 -4.90 114.94 123.42 2bu9 s ASN 276 Ca -0.09 -2.59 -0.14 0.00 0.21 0.00 0.00 52.86 50.25 2bu9 s ASN 276 Cb -0.12 -2.44 0.03 0.00 -0.55 0.00 0.00 41.25 38.17 2bu9 s ASN 276 CO 0.00 -0.94 0.37 0.00 -2.79 0.00 0.00 177.10 173.73 2bu9 s ALA 277 N 2.52 -0.91 -0.36 1.71 0.00 -1.26 -4.86 121.76 118.60 2bu9 s ALA 277 Ca 0.43 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2bu9 s ALA 277 Cb -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2bu9 s ALA 277 CO -0.01 -0.21 1.33 -2.00 0.00 0.00 0.00 175.76 174.87 2bu9 s GLU 278 N -0.32 3.76 0.25 0.00 2.56 -1.26 -3.74 118.70 119.95 2bu9 s GLU 278 Ca -0.05 1.07 -0.13 0.00 0.00 0.00 0.00 54.97 55.86 2bu9 s GLU 278 Cb -0.03 -3.94 -0.00 0.00 2.00 0.00 0.00 34.13 32.15 2bu9 s GLU 278 CO 0.02 -1.32 0.49 -0.98 -0.56 0.00 0.00 175.26 172.91 2bu9 s ARG 279 N 4.50 1.57 0.06 4.30 1.70 -0.09 -4.91 118.95 126.09 2bu9 s ARG 279 Ca 0.58 -1.25 0.09 0.00 -0.47 0.00 0.00 55.73 54.67 2bu9 s ARG 279 Cb -0.15 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 2bu9 s ARG 279 CO 0.28 -0.66 -0.25 -0.65 -1.08 0.00 0.00 175.30 172.94 2bu9 s GLN 280 N -3.97 1.61 -0.07 3.89 -0.21 -1.26 -1.40 119.66 118.24 2bu9 s GLN 280 Ca 0.22 -1.11 -0.00 0.00 0.02 0.00 0.00 55.36 54.49 2bu9 s GLN 280 Cb -0.01 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.20 2bu9 s GLN 280 CO 0.09 0.46 -0.03 0.45 -2.12 0.00 0.00 175.29 174.15 2bu9 s SER 281 N -1.38 1.51 -0.54 5.90 0.15 -0.86 -1.94 113.70 116.53 2bu9 s SER 281 Ca 0.11 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.68 2bu9 s SER 281 Cb -0.10 -0.51 0.22 0.00 -1.71 0.00 0.00 66.02 63.92 2bu9 s SER 281 CO 0.03 -0.14 0.58 0.18 1.20 0.00 0.00 173.24 175.09 2bu9 n LEU 282 N 4.78 1.94 -4.79 3.45 4.77 0.67 -1.30 117.00 126.52 2bu9 n LEU 282 Ca -0.13 -5.02 -0.36 0.00 -0.03 0.00 0.00 56.01 50.46 2bu9 n LEU 282 Cb 0.50 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2bu9 n LEU 282 CO 0.15 1.98 0.71 -2.16 -1.33 0.00 0.00 177.39 176.75 2bu9 s PRO 283 N -1.55 4.23 -0.24 3.23 0.04 -1.20 -2.49 135.00 137.03 2bu9 s PRO 283 Ca 0.35 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2bu9 s PRO 283 Cb 0.11 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2bu9 s PRO 283 CO -0.10 -0.07 -0.06 0.12 0.04 0.00 0.00 177.00 176.94 2bu9 s PHE 284 N -1.70 3.04 -0.38 0.56 5.36 -0.34 -1.78 117.98 122.73 2bu9 s PHE 284 Ca 0.57 -1.44 -0.20 0.00 -0.96 0.00 0.00 56.93 54.90 2bu9 s PHE 284 Cb -0.20 -2.07 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 2bu9 s PHE 284 CO 0.25 -0.70 0.61 -0.06 -1.46 0.00 0.00 175.22 173.87 2bu9 s PHE 285 N 1.36 3.13 -0.71 10.12 0.08 -0.29 -1.11 117.98 130.56 2bu9 s PHE 285 Ca 0.01 0.20 -0.26 0.00 0.12 0.00 0.00 56.93 57.00 2bu9 s PHE 285 Cb -0.16 -3.16 0.04 0.00 -0.57 0.00 0.00 43.02 39.17 2bu9 s PHE 285 CO -0.04 -0.68 1.19 0.08 -0.10 0.00 0.00 175.22 175.67 2bu9 s VAL 286 N 2.68 3.90 0.06 -0.44 1.01 -0.16 -2.54 120.40 124.91 2bu9 s VAL 286 Ca 0.23 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.51 2bu9 s VAL 286 Cb -0.15 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 2bu9 s VAL 286 CO 0.16 -1.72 -0.09 0.20 0.00 0.00 0.00 175.10 173.65 2bu9 s ASN 287 N 3.66 4.43 0.25 3.32 0.01 -1.26 -0.96 114.94 124.39 2bu9 s ASN 287 Ca 0.32 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2bu9 s ASN 287 Cb -0.10 -0.91 0.00 0.00 0.41 0.00 0.00 41.25 40.64 2bu9 s ASN 287 CO 0.15 0.23 0.00 0.18 -1.51 0.00 0.00 177.10 176.14 2bu9 n LEU 288 N 1.12 0.00 -4.89 0.60 4.77 -1.26 -3.72 117.00 113.62 2bu9 n LEU 288 Ca -0.14 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.54 2bu9 n LEU 288 Cb 0.52 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.66 2bu9 n LEU 288 CO 0.32 -0.19 0.72 -0.83 -1.33 0.00 0.00 177.39 176.08 2bu9 s GLY 289 N -1.63 1.62 0.28 -0.72 0.00 -1.18 -1.51 107.32 104.19 2bu9 s GLY 289 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 2bu9 s GLY 289 CO 0.00 -0.04 1.92 -1.82 0.00 0.00 0.00 173.10 173.17 2bu9 h TYR 290 N -0.57 1.13 -0.39 1.90 3.20 -1.94 -2.22 116.97 118.07 2bu9 h TYR 290 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2bu9 h TYR 290 Cb 1.25 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2bu9 h TYR 290 CO 0.50 0.65 0.00 -0.25 -1.64 0.00 0.00 178.16 177.42 2bu9 n ASP 291 N -4.45 3.26 -4.72 -2.11 8.00 -1.26 -0.75 116.55 114.52 2bu9 n ASP 291 Ca 0.13 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 2bu9 n ASP 291 Cb 0.11 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 2bu9 n ASP 291 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bu9 s SER 292 N -1.45 6.65 -0.06 -2.24 0.01 -0.84 -4.77 113.70 111.00 2bu9 s SER 292 Ca 0.39 2.56 -0.00 0.00 1.31 0.00 0.00 55.95 60.21 2bu9 s SER 292 Cb 0.22 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2bu9 s SER 292 CO 0.31 -0.77 -0.02 -0.69 0.41 0.00 0.00 173.24 172.48 2bu9 s VAL 293 N 0.95 0.45 -0.11 3.43 1.01 -1.26 -0.68 120.40 124.19 2bu9 s VAL 293 Ca 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2bu9 s VAL 293 Cb -0.42 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2bu9 s VAL 293 CO 0.33 0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 174.98 2bu9 s ILE 294 N 1.47 3.70 0.00 2.22 1.01 -1.26 -5.08 121.20 123.26 2bu9 s ILE 294 Ca -0.03 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 2bu9 s ILE 294 Cb -0.13 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 2bu9 s ILE 294 CO -0.03 0.55 1.45 -1.81 0.00 0.00 0.00 174.94 175.10 2bu9 s ASP 295 N -0.23 6.80 0.59 3.58 1.01 -1.26 -4.67 116.67 122.49 2bu9 s ASP 295 Ca 0.03 2.17 -0.20 0.00 0.71 0.00 0.00 52.55 55.27 2bu9 s ASP 295 Cb -0.13 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 2bu9 s ASP 295 CO 0.03 -0.76 1.27 -2.84 0.21 0.00 0.00 175.17 173.08 2bu9 s PRO 296 N 2.56 2.93 0.28 8.23 0.02 -1.26 -5.01 135.00 142.75 2bu9 s PRO 296 Ca 0.66 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.69 2bu9 s PRO 296 Cb -0.33 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.15 2bu9 s PRO 296 CO 0.27 -1.29 0.29 -0.59 -0.33 0.00 0.00 177.00 175.36 2bu9 s PHE 297 N -1.44 1.29 -0.26 6.54 -0.71 0.05 -4.32 117.98 119.12 2bu9 s PHE 297 Ca 0.77 -1.41 -0.04 0.00 -1.04 0.00 0.00 56.93 55.21 2bu9 s PHE 297 Cb -0.35 -0.44 0.09 0.00 -1.21 0.00 0.00 43.02 41.11 2bu9 s PHE 297 CO 0.39 -0.87 0.13 0.34 -1.34 0.00 0.00 175.22 173.88 2bu9 s ASP 298 N -3.24 3.09 0.00 1.98 -1.08 -0.15 -3.21 116.67 114.06 2bu9 s ASP 298 Ca 0.36 -1.07 0.12 0.00 -0.52 0.00 0.00 52.55 51.44 2bu9 s ASP 298 Cb 0.03 -0.25 0.71 0.00 -1.46 0.00 0.00 42.92 41.95 2bu9 s ASP 298 CO 0.19 -0.41 1.15 -2.65 0.52 0.00 0.00 175.17 173.97 2bu9 n PRO 299 N 5.26 0.55 0.00 4.34 -0.02 -1.26 -1.54 135.00 142.33 2bu9 n PRO 299 Ca -0.06 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.52 2bu9 n PRO 299 Cb 0.44 -1.34 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 2bu9 n PRO 299 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bu9 n ARG 300 N -0.84 1.05 -4.27 -0.52 1.74 -1.26 -4.96 116.66 107.60 2bu9 n ARG 300 Ca 0.09 -0.77 -0.35 0.00 -0.77 0.00 0.00 57.85 56.06 2bu9 n ARG 300 Cb 0.04 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 2bu9 n ARG 300 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2bu9 s GLU 301 N -2.52 3.40 0.25 5.56 0.41 -0.59 -5.02 118.70 120.19 2bu9 s GLU 301 Ca 0.16 -0.40 -0.03 0.00 -0.41 0.00 0.00 54.97 54.28 2bu9 s GLU 301 Cb 0.17 -2.94 0.50 0.00 -1.78 0.00 0.00 34.13 30.08 2bu9 s GLU 301 CO 0.61 0.50 1.70 -1.35 -0.49 0.00 0.00 175.26 176.24 2bu9 h PRO 302 N 5.85 0.32 -0.11 0.39 0.11 -1.93 0.77 132.00 137.40 2bu9 h PRO 302 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2bu9 h PRO 302 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2bu9 h PRO 302 CO 0.60 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 2bu9 n ASN 303 N -5.10 1.11 0.00 -2.05 0.23 -1.26 -4.90 115.26 103.28 2bu9 n ASN 303 Ca 0.15 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.57 2bu9 n ASN 303 Cb 0.48 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 2bu9 n ASN 303 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bu9 n GLY 304 N 1.01 0.20 3.84 4.83 0.00 0.26 -4.98 105.19 110.34 2bu9 n GLY 304 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2bu9 n GLY 304 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bu9 s LYS 305 N -1.18 4.07 0.07 1.61 1.02 -1.26 -0.98 119.74 123.10 2bu9 s LYS 305 Ca 0.00 0.73 0.08 0.00 0.02 0.00 0.00 55.97 56.80 2bu9 s LYS 305 Cb 0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2bu9 s LYS 305 CO 0.00 0.22 -0.22 0.45 -0.92 0.00 0.00 175.35 174.89 2bu9 s SER 306 N -2.10 2.61 -0.26 2.83 0.15 -1.26 -4.25 113.70 111.42 2bu9 s SER 306 Ca 0.51 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.60 2bu9 s SER 306 Cb -0.12 -0.19 0.43 0.00 -1.71 0.00 0.00 66.02 64.43 2bu9 s SER 306 CO 0.18 0.13 1.52 0.47 1.20 0.00 0.00 173.24 176.75 2bu9 n ASP 307 N 1.52 3.53 -4.89 5.45 8.00 -1.26 -4.87 116.55 124.02 2bu9 n ASP 307 Ca -0.18 -2.92 -0.33 0.00 0.71 0.00 0.00 54.79 52.07 2bu9 n ASP 307 Cb 0.53 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 2bu9 n ASP 307 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2bu9 s ARG 308 N -2.03 3.59 0.20 -1.24 0.52 -1.26 -5.11 118.95 113.61 2bu9 s ARG 308 Ca 0.35 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 55.36 2bu9 s ARG 308 Cb 0.29 -2.99 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 2bu9 s ARG 308 CO 0.07 0.57 0.49 -1.21 0.02 0.00 0.00 175.30 175.24 2bu9 s GLU 309 N -2.20 3.74 0.41 3.54 0.41 -1.26 -4.74 118.70 118.59 2bu9 s GLU 309 Ca 0.34 0.15 -0.27 0.00 -0.41 0.00 0.00 54.97 54.78 2bu9 s GLU 309 Cb -0.13 -2.72 -0.09 0.00 -1.78 0.00 0.00 34.13 29.41 2bu9 s GLU 309 CO 0.21 0.37 1.41 -2.14 -0.49 0.00 0.00 175.26 174.62 2bu9 s PRO 310 N -2.75 3.93 -0.07 0.39 0.02 -1.26 -4.86 135.00 130.40 2bu9 s PRO 310 Ca 0.45 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2bu9 s PRO 310 Cb -0.12 -2.81 0.02 0.00 0.02 0.00 0.00 34.50 31.62 2bu9 s PRO 310 CO 0.22 -0.61 -0.05 -1.17 -0.33 0.00 0.00 177.00 175.07 2bu9 s LEU 311 N -2.38 1.10 0.56 -5.54 2.96 -1.26 -5.10 118.68 109.01 2bu9 s LEU 311 Ca 0.56 -0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.11 2bu9 s LEU 311 Cb -0.43 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 2bu9 s LEU 311 CO 0.57 -0.10 1.12 -0.94 -1.32 0.00 0.00 176.35 175.67 2bu9 s SER 312 N 1.41 5.66 0.19 3.68 1.04 -1.26 -4.60 113.70 119.81 2bu9 s SER 312 Ca -0.03 2.13 -0.08 0.00 0.48 0.00 0.00 55.95 58.46 2bu9 s SER 312 Cb -0.13 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.50 2bu9 s SER 312 CO -0.03 -1.26 1.60 0.22 0.98 0.00 0.00 173.24 174.75 2bu9 h TYR 313 N 1.01 1.05 -0.93 5.02 5.03 -1.00 -1.76 116.97 125.39 2bu9 h TYR 313 Ca -0.49 -0.23 -0.01 0.00 2.58 0.00 0.00 58.73 60.57 2bu9 h TYR 313 Cb 1.26 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 39.24 2bu9 h TYR 313 CO 0.52 1.02 0.54 0.78 -1.32 0.00 0.00 178.16 179.70 2bu9 h GLY 314 N 0.93 1.37 0.94 1.82 0.00 -1.07 0.84 103.07 107.90 2bu9 h GLY 314 Ca 0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2bu9 h GLY 314 CO 0.06 0.57 -0.18 -1.80 0.00 0.00 0.00 176.54 175.19 2bu9 h ASP 315 N 1.29 -0.43 -0.43 0.19 1.82 -1.71 -1.59 116.42 115.56 2bu9 h ASP 315 Ca 0.33 0.02 0.09 0.00 -0.39 0.00 0.00 57.03 57.08 2bu9 h ASP 315 Cb -0.02 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 40.03 2bu9 h ASP 315 CO -0.06 -0.29 -0.15 0.22 -1.61 0.00 0.00 179.24 177.35 2bu9 h TYR 316 N -0.46 -0.36 0.06 0.28 3.20 -1.00 -2.17 116.97 116.52 2bu9 h TYR 316 Ca -0.03 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2bu9 h TYR 316 Cb 0.37 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2bu9 h TYR 316 CO -0.08 -0.23 -0.03 1.25 -1.64 0.00 0.00 178.16 177.43 2bu9 h LEU 317 N -0.06 -0.06 -0.27 2.82 5.85 -0.74 0.10 115.31 122.95 2bu9 h LEU 317 Ca 0.21 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2bu9 h LEU 317 Cb 0.38 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2bu9 h LEU 317 CO -0.47 0.36 -0.28 1.56 -0.34 0.00 0.00 178.44 179.27 2bu9 h GLN 318 N -0.50 -0.26 -0.25 1.25 4.20 -1.25 -1.00 115.11 117.30 2bu9 h GLN 318 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2bu9 h GLN 318 Cb 0.45 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2bu9 h GLN 318 CO 0.01 -0.17 0.16 -0.97 -0.67 0.00 0.00 178.83 177.19 2bu9 h ASN 319 N -0.27 0.28 -0.57 1.46 -0.73 -1.37 -2.93 115.58 111.45 2bu9 h ASN 319 Ca 0.14 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 2bu9 h ASN 319 Cb 0.50 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 2bu9 h ASN 319 CO -0.43 0.20 0.11 1.23 -0.37 0.00 0.00 177.43 178.17 2bu9 h GLY 320 N 0.33 1.00 1.01 1.57 0.00 -0.32 -1.24 103.07 105.42 2bu9 h GLY 320 Ca 0.09 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2bu9 h GLY 320 CO -0.02 0.61 0.04 1.41 0.00 0.00 0.00 176.54 178.58 2bu9 h LEU 321 N 0.83 0.85 -0.38 3.11 3.38 -1.20 -0.84 115.31 121.06 2bu9 h LEU 321 Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2bu9 h LEU 321 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2bu9 h LEU 321 CO 0.01 0.92 0.19 0.58 0.09 0.00 0.00 178.44 180.23 2bu9 h VAL 322 N 0.75 1.17 -0.88 1.22 2.07 -1.40 -2.63 116.25 116.55 2bu9 h VAL 322 Ca 0.15 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2bu9 h VAL 322 Cb 0.46 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2bu9 h VAL 322 CO 0.02 0.18 0.54 0.28 0.02 0.00 0.00 177.57 178.61 2bu9 h SER 323 N 0.48 1.04 -0.22 0.57 0.02 -1.02 -0.94 113.55 113.48 2bu9 h SER 323 Ca 0.13 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2bu9 h SER 323 Cb 0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2bu9 h SER 323 CO -0.02 0.79 -0.18 0.25 -1.14 0.00 0.00 176.83 176.53 2bu9 h LEU 324 N 1.20 0.66 -0.29 5.07 5.85 -1.04 0.44 115.31 127.20 2bu9 h LEU 324 Ca 0.32 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2bu9 h LEU 324 Cb -0.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2bu9 h LEU 324 CO -0.06 0.84 0.11 0.40 -0.34 0.00 0.00 178.44 179.39 2bu9 h ILE 325 N 0.59 1.18 -0.60 4.05 2.04 -1.09 -0.50 117.51 123.17 2bu9 h ILE 325 Ca 0.09 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2bu9 h ILE 325 Cb 0.64 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2bu9 h ILE 325 CO 0.05 0.19 0.16 0.78 0.00 0.00 0.00 178.15 179.33 2bu9 h ASN 326 N 0.32 0.87 -0.01 1.72 2.35 -0.77 0.14 115.58 120.20 2bu9 h ASN 326 Ca 0.10 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2bu9 h ASN 326 Cb 0.20 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2bu9 h ASN 326 CO -0.01 0.83 -0.05 0.50 -1.65 0.00 0.00 177.43 177.06 2bu9 h LYS 327 N 0.89 0.05 -0.04 0.81 3.64 -0.76 -3.39 116.57 117.77 2bu9 h LYS 327 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2bu9 h LYS 327 Cb 0.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2bu9 h LYS 327 CO -0.00 0.71 0.00 0.09 -2.27 0.00 0.00 179.45 177.98 2bu9 n ASN 328 N -4.72 1.63 0.00 4.20 4.13 -0.21 -5.09 115.26 115.21 2bu9 n ASN 328 Ca -0.09 -1.38 0.00 0.00 1.68 0.00 0.00 54.58 54.79 2bu9 n ASN 328 Cb 0.36 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 2bu9 n ASN 328 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bu9 n GLY 329 N 0.20 1.95 3.72 7.41 0.00 0.49 -4.86 105.19 114.10 2bu9 n GLY 329 Ca 0.03 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2bu9 n GLY 329 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bu9 s GLN 330 N -3.35 4.25 0.00 1.61 2.00 -1.26 -4.57 119.66 118.35 2bu9 s GLN 330 Ca 0.00 2.25 0.27 0.00 -2.00 0.00 0.00 55.36 55.88 2bu9 s GLN 330 Cb 0.00 -3.21 0.90 0.00 0.80 0.00 0.00 33.01 31.50 2bu9 s GLN 330 CO 0.00 -0.55 1.66 0.25 -0.50 0.00 0.00 175.29 176.15