#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbu s PRO 2 N 0.00 3.04 0.51 0.00 0.04 -1.26 -4.99 135.00 132.34 1xbu s PRO 2 Ca 0.00 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1xbu s PRO 2 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1xbu s PRO 2 CO 0.00 -1.02 1.22 0.34 0.04 0.00 0.00 177.00 177.58 1xbu s ASP 3 N -3.79 5.76 -0.24 6.66 2.15 -1.26 -4.75 116.67 121.19 1xbu s ASP 3 Ca 0.58 2.42 -0.14 0.00 0.43 0.00 0.00 52.55 55.84 1xbu s ASP 3 Cb -0.14 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 1xbu s ASP 3 CO 0.54 -1.21 0.32 -0.63 -0.17 0.00 0.00 175.17 174.02 1xbu s ILE 4 N -1.51 5.23 -0.10 4.11 -1.09 -1.26 -5.04 121.20 121.55 1xbu s ILE 4 Ca 0.68 0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 59.31 1xbu s ILE 4 Cb -0.31 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1xbu s ILE 4 CO 0.37 0.24 1.57 -2.84 -1.23 0.00 0.00 174.94 173.05 1xbu s PRO 5 N 1.56 4.13 0.30 2.79 0.02 -1.26 -4.79 135.00 137.75 1xbu s PRO 5 Ca 0.14 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.20 1xbu s PRO 5 Cb -0.15 -3.95 0.62 0.00 0.02 0.00 0.00 34.50 31.04 1xbu s PRO 5 CO 0.08 -0.89 1.86 1.25 -0.33 0.00 0.00 177.00 178.97 1xbu h LEU 6 N 10.36 0.86 -1.36 -5.54 5.85 -1.96 -0.70 115.31 122.82 1xbu h LEU 6 Ca -0.36 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 1xbu h LEU 6 Cb 1.16 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1xbu h LEU 6 CO 0.96 0.47 -0.04 0.00 -0.34 0.00 0.00 178.44 179.49 1xbu h ALA 7 N 1.55 1.48 -0.40 1.25 0.00 -1.99 0.06 119.26 121.20 1xbu h ALA 7 Ca 0.47 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1xbu h ALA 7 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xbu h ALA 7 CO -0.23 0.37 -0.31 -0.91 0.00 0.00 0.00 179.25 178.17 1xbu h ASN 8 N 0.36 0.93 -0.22 0.00 4.21 -1.52 -1.13 115.58 118.22 1xbu h ASN 8 Ca 0.08 -0.39 -0.01 0.00 1.21 0.00 0.00 56.30 57.19 1xbu h ASN 8 Cb 0.31 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1xbu h ASN 8 CO 0.01 1.16 0.09 0.58 -1.29 0.00 0.00 177.43 177.99 1xbu h VAL 9 N 0.75 1.16 -0.81 2.81 2.07 -1.03 -2.25 116.25 118.95 1xbu h VAL 9 Ca 0.08 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1xbu h VAL 9 Cb 0.88 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1xbu h VAL 9 CO 0.08 0.16 0.53 0.11 0.02 0.00 0.00 177.57 178.47 1xbu h LYS 10 N 0.21 0.94 -0.56 1.57 1.57 -0.92 -1.77 116.57 117.60 1xbu h LYS 10 Ca 0.07 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1xbu h LYS 10 Cb 0.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1xbu h LYS 10 CO -0.01 0.62 0.05 0.00 -0.57 0.00 0.00 179.45 179.55 1xbu h ALA 11 N 1.54 1.02 -0.80 3.86 0.00 -0.87 -0.00 119.26 124.01 1xbu h ALA 11 Ca 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xbu h ALA 11 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1xbu h ALA 11 CO -0.10 0.61 0.34 0.45 0.00 0.00 0.00 179.25 180.55 1xbu h HIS 12 N 0.87 1.19 -0.71 0.00 3.86 -0.75 -1.53 115.15 118.08 1xbu h HIS 12 Ca 0.17 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1xbu h HIS 12 Cb 0.45 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1xbu h HIS 12 CO 0.03 0.89 0.32 -0.07 0.86 0.00 0.00 177.93 179.96 1xbu h LEU 13 N 1.15 0.96 -0.66 2.43 3.38 -0.74 -0.61 115.31 121.22 1xbu h LEU 13 Ca 0.27 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1xbu h LEU 13 Cb 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1xbu h LEU 13 CO -0.03 0.84 0.40 0.74 0.09 0.00 0.00 178.44 180.49 1xbu h THR 14 N 1.01 1.06 -0.59 0.22 2.02 -0.63 0.12 112.91 116.13 1xbu h THR 14 Ca 0.24 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1xbu h THR 14 Cb 0.16 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1xbu h THR 14 CO -0.03 0.14 0.28 1.56 0.37 0.00 0.00 175.52 177.85 1xbu h GLN 15 N 0.78 0.85 -0.54 6.66 1.08 -0.72 -0.62 115.11 122.59 1xbu h GLN 15 Ca 0.27 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1xbu h GLN 15 Cb 0.05 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1xbu h GLN 15 CO -0.12 0.69 0.17 -0.07 -0.95 0.00 0.00 178.83 178.54 1xbu h LEU 16 N 0.80 0.75 -0.50 1.46 3.38 -0.63 -0.62 115.31 119.94 1xbu h LEU 16 Ca 0.20 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xbu h LEU 16 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1xbu h LEU 16 CO -0.03 0.71 0.21 -1.28 0.09 0.00 0.00 178.44 178.15 1xbu h SER 17 N 0.79 0.68 -0.58 -0.43 0.87 -0.29 -0.55 113.55 114.05 1xbu h SER 17 Ca 0.18 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1xbu h SER 17 Cb 0.24 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1xbu h SER 17 CO -0.01 0.66 0.05 0.74 -0.53 0.00 0.00 176.83 177.74 1xbu h THR 18 N 0.67 1.26 -0.58 2.23 2.02 -0.87 -1.04 112.91 116.60 1xbu h THR 18 Ca 0.17 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1xbu h THR 18 Cb 0.18 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1xbu h THR 18 CO -0.02 0.39 0.37 0.40 0.37 0.00 0.00 175.52 177.03 1xbu h ILE 19 N 0.95 1.10 -0.18 3.11 2.04 -0.85 0.21 117.51 123.88 1xbu h ILE 19 Ca 0.18 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xbu h ILE 19 Cb 0.48 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1xbu h ILE 19 CO 0.02 0.13 0.09 0.00 0.00 0.00 0.00 178.15 178.40 1xbu h ALA 20 N 1.24 0.23 -0.63 1.87 0.00 -0.71 -2.43 119.26 118.82 1xbu h ALA 20 Ca 0.23 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1xbu h ALA 20 Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1xbu h ALA 20 CO -0.08 -0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.36 1xbu h ALA 21 N 0.98 1.72 0.00 0.00 0.00 -0.74 0.32 119.26 121.54 1xbu h ALA 21 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xbu h ALA 21 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xbu h ALA 21 CO -0.01 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.53 1xbu n ASN 22 N -4.47 0.00 -2.75 0.00 5.03 0.02 -4.05 115.26 109.04 1xbu n ASN 22 Ca 0.08 0.30 -0.17 0.00 0.87 0.00 0.00 54.58 55.67 1xbu n ASN 22 Cb 0.18 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.52 1xbu n ASN 22 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1xbu n ASN 23 N -1.43 2.37 0.00 6.41 3.02 -0.59 -4.95 115.26 120.09 1xbu n ASN 23 Ca 0.08 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1xbu n ASN 23 Cb 0.27 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1xbu n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xbu n GLY 24 N -0.11 0.43 0.74 7.41 0.00 -1.20 -3.44 105.19 109.03 1xbu n GLY 24 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1xbu n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbu n GLY 25 N -2.40 0.77 3.55 -0.02 0.00 0.10 -5.02 105.19 102.17 1xbu n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1xbu n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbu s ASN 26 N -2.41 0.32 -0.34 1.61 2.20 -1.21 -3.20 114.94 111.90 1xbu s ASN 26 Ca 0.00 -1.19 0.12 0.00 -0.94 0.00 0.00 52.86 50.85 1xbu s ASN 26 Cb 0.00 0.63 0.46 0.00 -2.00 0.00 0.00 41.25 40.34 1xbu s ASN 26 CO 0.00 -1.24 1.09 0.54 -2.94 0.00 0.00 177.10 174.55 1xbu n ARG 27 N -0.46 2.60 -3.19 3.55 1.74 -1.25 -4.06 116.66 115.59 1xbu n ARG 27 Ca -0.01 -3.93 -0.29 0.00 -0.77 0.00 0.00 57.85 52.85 1xbu n ARG 27 Cb 0.62 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1xbu n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xbu s ALA 28 N -3.51 3.53 0.10 7.54 0.00 -1.25 -1.48 121.76 126.70 1xbu s ALA 28 Ca 0.40 -0.41 -0.36 0.00 0.00 0.00 0.00 51.96 51.59 1xbu s ALA 28 Cb 0.40 -2.45 -0.17 0.00 0.00 0.00 0.00 23.12 20.91 1xbu s ALA 28 CO -0.05 0.18 1.22 1.58 0.00 0.00 0.00 175.76 178.70 1xbu n HIS 29 N -0.98 1.25 -0.67 0.00 -0.00 -1.26 -1.46 115.22 112.10 1xbu n HIS 29 Ca -0.00 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.90 1xbu n HIS 29 Cb 0.54 -2.27 0.00 0.00 -0.12 0.00 0.00 29.99 28.14 1xbu n HIS 29 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xbu n GLY 30 N 2.20 1.14 3.43 1.57 0.00 -1.26 -5.01 105.19 107.25 1xbu n GLY 30 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1xbu n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xbu s ARG 31 N -0.20 1.55 0.58 1.61 0.52 -0.53 -4.98 118.95 117.50 1xbu s ARG 31 Ca 0.00 -1.31 0.31 0.00 -0.52 0.00 0.00 55.73 54.22 1xbu s ARG 31 Cb 0.00 -1.97 1.81 0.00 0.52 0.00 0.00 34.95 35.31 1xbu s ARG 31 CO 0.00 0.46 2.22 -1.00 0.02 0.00 0.00 175.30 177.00 1xbu h PRO 32 N 3.76 0.00 0.00 3.54 0.13 -1.88 -1.76 132.00 135.79 1xbu h PRO 32 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1xbu h PRO 32 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xbu h PRO 32 CO 0.42 0.03 -0.10 0.78 -0.23 0.00 0.00 178.00 178.90 1xbu h GLY 33 N 0.25 0.00 0.28 1.56 0.00 -1.77 -1.67 103.07 101.72 1xbu h GLY 33 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xbu h GLY 33 CO 0.00 0.00 -0.07 -1.82 0.00 0.00 0.00 176.54 174.65 1xbu h TYR 34 N 0.00 -0.19 -0.60 5.60 3.20 -1.47 -2.35 116.97 121.16 1xbu h TYR 34 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1xbu h TYR 34 Cb 0.31 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1xbu h TYR 34 CO 0.00 0.22 0.40 -0.22 -1.64 0.00 0.00 178.16 176.92 1xbu h LYS 35 N -0.92 0.62 -0.28 1.82 1.63 -1.64 -0.55 116.57 117.25 1xbu h LYS 35 Ca -0.02 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 1xbu h LYS 35 Cb 0.49 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1xbu h LYS 35 CO 0.03 0.41 -0.18 0.00 -3.45 0.00 0.00 179.45 176.27 1xbu h ALA 36 N 1.66 1.18 -0.28 5.00 0.00 -1.34 0.01 119.26 125.50 1xbu h ALA 36 Ca 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xbu h ALA 36 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xbu h ALA 36 CO -0.07 0.52 0.14 1.03 0.00 0.00 0.00 179.25 180.87 1xbu h SER 37 N 0.44 0.37 -0.59 0.00 0.87 -0.58 -1.99 113.55 112.07 1xbu h SER 37 Ca 0.08 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1xbu h SER 37 Cb 0.57 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 1xbu h SER 37 CO 0.04 0.39 0.28 0.58 -0.53 0.00 0.00 176.83 177.59 1xbu h VAL 38 N 0.32 0.89 -0.53 2.23 2.07 -0.80 -2.22 116.25 118.22 1xbu h VAL 38 Ca 0.10 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1xbu h VAL 38 Cb 0.12 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1xbu h VAL 38 CO -0.01 0.10 0.08 0.44 0.02 0.00 0.00 177.57 178.19 1xbu h ASP 39 N 0.52 0.79 0.15 0.57 3.32 -0.74 0.12 116.42 121.15 1xbu h ASP 39 Ca 0.28 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1xbu h ASP 39 Cb 0.24 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1xbu h ASP 39 CO -0.22 0.81 -0.07 0.22 -1.72 0.00 0.00 179.24 178.26 1xbu h TYR 40 N 0.80 -0.18 -0.41 4.55 3.20 -1.02 -1.83 116.97 122.08 1xbu h TYR 40 Ca 0.17 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1xbu h TYR 40 Cb 0.37 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1xbu h TYR 40 CO 0.02 0.04 0.24 0.28 -1.64 0.00 0.00 178.16 177.10 1xbu h VAL 41 N -0.37 1.13 -0.73 1.81 2.07 -1.18 -2.76 116.25 116.22 1xbu h VAL 41 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xbu h VAL 41 Cb 0.30 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1xbu h VAL 41 CO 0.03 0.13 0.44 0.50 0.02 0.00 0.00 177.57 178.69 1xbu h LYS 42 N 0.53 0.99 -0.75 1.57 3.64 -0.94 -1.88 116.57 119.73 1xbu h LYS 42 Ca 0.15 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1xbu h LYS 42 Cb 0.00 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1xbu h LYS 42 CO -0.03 0.70 0.24 0.00 -2.27 0.00 0.00 179.45 178.09 1xbu h ALA 43 N 1.23 1.01 -0.56 5.00 0.00 -1.16 0.95 119.26 125.72 1xbu h ALA 43 Ca 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xbu h ALA 43 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1xbu h ALA 43 CO -0.05 0.67 0.21 0.87 0.00 0.00 0.00 179.25 180.95 1xbu h LYS 44 N 1.11 0.85 -0.51 0.00 1.79 -1.16 -2.11 116.57 116.54 1xbu h LYS 44 Ca 0.24 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 1xbu h LYS 44 Cb 0.30 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1xbu h LYS 44 CO -0.01 0.75 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.03 1xbu h LEU 45 N 0.78 0.89 -0.75 2.94 3.38 -0.88 -2.47 115.31 119.20 1xbu h LEU 45 Ca 0.19 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xbu h LEU 45 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1xbu h LEU 45 CO -0.01 0.99 0.47 0.44 0.09 0.00 0.00 178.44 180.41 1xbu h ASP 46 N 0.78 0.90 0.38 -0.43 3.32 -0.71 -1.91 116.42 118.74 1xbu h ASP 46 Ca 0.14 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1xbu h ASP 46 Cb 0.54 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1xbu h ASP 46 CO 0.03 0.68 -0.25 0.00 -1.72 0.00 0.00 179.24 177.98 1xbu h ALA 47 N 1.25 1.38 -0.00 3.45 0.00 -1.26 -2.23 119.26 121.85 1xbu h ALA 47 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xbu h ALA 47 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xbu h ALA 47 CO -0.05 0.32 -0.10 0.00 0.00 0.00 0.00 179.25 179.42 1xbu n ALA 48 N -2.40 2.57 0.00 0.00 0.00 -0.78 -4.93 120.51 114.97 1xbu n ALA 48 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xbu n ALA 48 Cb 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xbu n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbu n GLY 49 N 1.49 0.81 3.77 0.00 0.00 -0.84 -4.84 105.19 105.58 1xbu n GLY 49 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1xbu n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xbu s TYR 50 N -2.00 2.62 -0.42 1.61 1.51 -0.84 -4.65 117.35 115.18 1xbu s TYR 50 Ca 0.00 1.54 -0.21 0.00 -1.01 0.00 0.00 57.07 57.39 1xbu s TYR 50 Cb 0.00 -3.32 0.02 0.00 -0.11 0.00 0.00 41.96 38.55 1xbu s TYR 50 CO 0.00 -1.68 0.68 0.95 -1.11 0.00 0.00 175.55 174.38 1xbu s THR 51 N -1.75 4.80 0.06 -0.71 -4.23 -0.26 -4.57 115.64 108.98 1xbu s THR 51 Ca 0.73 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1xbu s THR 51 Cb -0.25 -4.21 -0.04 0.00 1.34 0.00 0.00 72.50 69.34 1xbu s THR 51 CO 0.28 -0.56 0.11 0.42 -0.54 0.00 0.00 174.62 174.33 1xbu s THR 52 N 2.92 4.78 -0.06 3.99 -4.23 -1.26 -0.98 115.64 120.79 1xbu s THR 52 Ca 0.25 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 1xbu s THR 52 Cb -0.14 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1xbu s THR 52 CO 0.19 0.18 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.44 1xbu s THR 53 N -1.37 1.05 -0.34 3.99 2.01 0.20 -5.00 115.64 116.18 1xbu s THR 53 Ca 0.29 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 1xbu s THR 53 Cb -0.12 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1xbu s THR 53 CO 0.22 0.34 0.46 -0.22 -0.69 0.00 0.00 174.62 174.72 1xbu s LEU 54 N 0.66 4.36 -0.36 4.42 2.96 -1.26 -1.10 118.68 128.36 1xbu s LEU 54 Ca -0.14 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.58 1xbu s LEU 54 Cb -0.15 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.03 1xbu s LEU 54 CO 0.03 -0.42 0.24 -1.58 -1.32 0.00 0.00 176.35 173.30 1xbu s GLN 55 N 2.26 3.23 0.11 1.98 0.74 0.28 -4.97 119.66 123.30 1xbu s GLN 55 Ca 0.16 -0.82 -0.10 0.00 0.05 0.00 0.00 55.36 54.65 1xbu s GLN 55 Cb -0.16 -3.80 -0.06 0.00 1.10 0.00 0.00 33.01 30.09 1xbu s GLN 55 CO 0.12 -0.56 0.44 -0.65 -0.55 0.00 0.00 175.29 174.10 1xbu s GLN 56 N 1.67 3.80 0.17 1.67 -0.21 -1.26 -0.71 119.66 124.79 1xbu s GLN 56 Ca 0.05 0.23 -0.08 0.00 0.02 0.00 0.00 55.36 55.59 1xbu s GLN 56 Cb -0.18 -2.95 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1xbu s GLN 56 CO 0.09 0.52 0.26 -0.59 -2.12 0.00 0.00 175.29 173.45 1xbu s PHE 57 N -1.45 0.52 -0.12 0.91 -0.12 -0.46 -4.99 117.98 112.27 1xbu s PHE 57 Ca 0.35 -0.87 0.03 0.00 -0.05 0.00 0.00 56.93 56.39 1xbu s PHE 57 Cb -0.14 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.13 1xbu s PHE 57 CO 0.19 -0.71 -0.23 0.99 -0.05 0.00 0.00 175.22 175.41 1xbu s THR 58 N -4.00 2.04 -0.05 -4.49 2.01 -1.26 0.12 115.64 110.00 1xbu s THR 58 Ca 0.20 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1xbu s THR 58 Cb 0.04 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.79 1xbu s THR 58 CO 0.02 0.55 0.12 -0.55 -0.69 0.00 0.00 174.62 174.07 1xbu s SER 59 N 0.63 -0.09 -1.40 3.53 0.15 -0.48 -4.84 113.70 111.20 1xbu s SER 59 Ca -0.12 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1xbu s SER 59 Cb -0.16 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1xbu s SER 59 CO 0.02 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1xbu n GLY 60 N 3.64 0.03 2.62 9.45 0.00 -1.26 -1.80 105.19 117.87 1xbu n GLY 60 Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xbu n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbu n GLY 61 N -1.02 0.51 3.19 -0.02 0.00 -1.26 -4.99 105.19 101.60 1xbu n GLY 61 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1xbu n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbu s ALA 62 N -2.30 1.47 0.11 4.61 0.00 -0.74 -5.12 121.76 119.80 1xbu s ALA 62 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1xbu s ALA 62 Cb 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1xbu s ALA 62 CO 0.00 0.32 1.17 0.99 0.00 0.00 0.00 175.76 178.25 1xbu s THR 63 N -0.71 3.92 0.38 0.00 2.01 -1.26 -1.39 115.64 118.59 1xbu s THR 63 Ca 0.05 1.48 0.08 0.00 0.31 0.00 0.00 61.69 63.61 1xbu s THR 63 Cb -0.08 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1xbu s THR 63 CO 0.01 0.17 0.05 -0.83 -0.69 0.00 0.00 174.62 173.33 1xbu s GLY 64 N 0.61 2.30 -0.04 4.40 0.00 0.12 -4.28 107.32 110.43 1xbu s GLY 64 Ca 0.55 -2.13 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 1xbu s GLY 64 CO 0.32 -1.98 0.11 -0.19 0.00 0.00 0.00 173.10 171.36 1xbu s TYR 65 N -2.61 -0.12 -0.00 1.90 1.51 -1.26 -1.35 117.35 115.41 1xbu s TYR 65 Ca 0.36 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1xbu s TYR 65 Cb 0.05 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.88 1xbu s TYR 65 CO 0.19 -0.07 0.05 -0.80 -1.11 0.00 0.00 175.55 173.82 1xbu s ASN 66 N 0.19 5.48 -0.23 2.29 0.01 0.12 -2.48 114.94 120.32 1xbu s ASN 66 Ca -0.01 0.09 -0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1xbu s ASN 66 Cb -0.02 -1.53 -0.02 0.00 0.41 0.00 0.00 41.25 40.10 1xbu s ASN 66 CO -0.01 0.27 0.00 -0.22 -1.51 0.00 0.00 177.10 175.64 1xbu s LEU 67 N -1.68 3.12 -0.12 0.60 2.96 -0.03 -0.55 118.68 122.98 1xbu s LEU 67 Ca 0.22 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1xbu s LEU 67 Cb -0.12 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1xbu s LEU 67 CO 0.13 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.43 1xbu s ILE 68 N 1.53 3.64 -0.18 6.68 -1.09 -0.26 -0.90 121.20 130.62 1xbu s ILE 68 Ca 0.06 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1xbu s ILE 68 Cb -0.15 -2.54 0.05 0.00 -1.58 0.00 0.00 42.46 38.25 1xbu s ILE 68 CO -0.01 0.54 0.00 0.00 -1.23 0.00 0.00 174.94 174.25 1xbu s ALA 69 N -0.09 1.20 -0.21 9.38 0.00 0.49 -0.63 121.76 131.91 1xbu s ALA 69 Ca 0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 1xbu s ALA 69 Cb -0.13 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1xbu s ALA 69 CO 0.03 -1.03 0.15 -0.80 0.00 0.00 0.00 175.76 174.11 1xbu s ASN 70 N 1.76 6.21 -0.32 0.00 0.01 -0.15 -0.70 114.94 121.74 1xbu s ASN 70 Ca -0.01 0.23 -0.25 0.00 -0.71 0.00 0.00 52.86 52.12 1xbu s ASN 70 Cb -0.16 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.40 1xbu s ASN 70 CO -0.07 0.15 0.85 0.86 -1.51 0.00 0.00 177.10 177.37 1xbu s TRP 71 N 0.52 3.17 0.32 2.20 -0.00 -0.03 -1.10 118.94 124.03 1xbu s TRP 71 Ca 0.09 0.85 -0.29 0.00 -0.00 0.00 0.00 56.10 56.74 1xbu s TRP 71 Cb -0.12 -3.35 -0.12 0.00 -0.00 0.00 0.00 33.47 29.88 1xbu s TRP 71 CO -0.00 -0.64 1.47 -2.30 -0.00 0.00 0.00 176.95 175.48 1xbu n PRO 72 N 6.39 2.49 0.00 5.86 -0.02 -1.26 -4.42 135.00 144.04 1xbu n PRO 72 Ca 0.05 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1xbu n PRO 72 Cb 0.48 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1xbu n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xbu n GLY 73 N 1.30 -1.61 0.00 -1.23 0.00 -1.26 -5.03 105.19 97.36 1xbu n GLY 73 Ca 0.06 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1xbu n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbu n GLY 74 N -0.33 -1.61 3.64 -0.02 0.00 -1.26 -4.36 105.19 101.25 1xbu n GLY 74 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1xbu n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xbu s ASP 75 N -4.40 6.64 0.62 1.61 -1.08 0.03 -4.55 116.67 115.55 1xbu s ASP 75 Ca 0.00 1.67 0.41 0.00 -0.52 0.00 0.00 52.55 54.10 1xbu s ASP 75 Cb 0.00 -2.54 2.06 0.00 -1.46 0.00 0.00 42.92 40.99 1xbu s ASP 75 CO 0.00 -1.03 2.23 1.55 0.52 0.00 0.00 175.17 178.45 1xbu h PRO 76 N 9.53 0.00 -0.06 4.34 0.13 -1.91 -2.00 132.00 142.04 1xbu h PRO 76 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1xbu h PRO 76 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xbu h PRO 76 CO 0.99 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.85 1xbu n ASN 77 N -3.07 1.74 -3.56 1.44 3.02 -1.26 -4.56 115.26 109.01 1xbu n ASN 77 Ca -0.02 -1.60 -0.29 0.00 -0.03 0.00 0.00 54.58 52.64 1xbu n ASN 77 Cb 0.15 -0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.16 1xbu n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xbu s LYS 78 N -1.95 0.71 -0.22 3.52 1.02 -0.76 -4.56 119.74 117.52 1xbu s LYS 78 Ca 0.36 -1.38 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 1xbu s LYS 78 Cb 0.20 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 1xbu s LYS 78 CO 0.32 -1.15 0.09 0.08 -0.92 0.00 0.00 175.35 173.77 1xbu s VAL 79 N 1.07 4.84 -0.20 3.17 1.01 0.27 -1.57 120.40 128.99 1xbu s VAL 79 Ca 0.16 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1xbu s VAL 79 Cb -0.22 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1xbu s VAL 79 CO -0.07 0.40 0.04 -0.22 0.00 0.00 0.00 175.10 175.25 1xbu s LEU 80 N 0.88 3.53 0.11 3.92 2.96 0.21 0.01 118.68 130.30 1xbu s LEU 80 Ca 0.05 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1xbu s LEU 80 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1xbu s LEU 80 CO 0.03 0.09 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.76 1xbu s MET 81 N 0.87 2.27 -0.01 1.98 -2.45 -0.28 -1.63 119.30 120.05 1xbu s MET 81 Ca 0.03 -1.00 -0.02 0.00 -1.25 0.00 0.00 55.69 53.45 1xbu s MET 81 Cb -0.14 -2.37 0.00 0.00 1.25 0.00 0.00 34.83 33.57 1xbu s MET 81 CO 0.02 0.51 0.04 0.00 1.05 0.00 0.00 175.02 176.64 1xbu s ALA 82 N -1.32 -0.09 0.35 4.11 0.00 -0.92 -0.90 121.76 122.99 1xbu s ALA 82 Ca 0.23 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 1xbu s ALA 82 Cb -0.11 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1xbu s ALA 82 CO 0.16 -0.05 0.73 0.20 0.00 0.00 0.00 175.76 176.80 1xbu s GLY 83 N -0.26 0.35 -0.28 0.00 0.00 0.16 -0.95 107.32 106.34 1xbu s GLY 83 Ca -0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 1xbu s GLY 83 CO -0.00 -0.32 0.89 0.00 0.00 0.00 0.00 173.10 173.67 1xbu s ALA 84 N -2.85 -1.97 0.30 3.20 0.00 -0.83 -1.58 121.76 118.03 1xbu s ALA 84 Ca 0.16 2.06 -0.28 0.00 0.00 0.00 0.00 51.96 53.90 1xbu s ALA 84 Cb -0.05 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 1xbu s ALA 84 CO 0.11 -0.31 1.04 -3.38 0.00 0.00 0.00 175.76 173.23 1xbu s HIS 85 N 0.70 3.62 -1.65 0.00 -3.43 -1.26 -1.92 115.29 111.35 1xbu s HIS 85 Ca -0.02 1.74 0.19 0.00 -0.80 0.00 0.00 55.06 56.17 1xbu s HIS 85 Cb -0.05 -3.16 -0.02 0.00 -1.43 0.00 0.00 32.58 27.93 1xbu s HIS 85 CO -0.08 -0.29 0.94 -0.11 -2.00 0.00 0.00 174.74 173.19 1xbu n LEU 86 N 0.96 1.74 -4.89 5.38 7.94 0.21 -4.47 117.00 123.87 1xbu n LEU 86 Ca 0.00 -0.75 -0.29 0.00 -1.11 0.00 0.00 56.01 53.86 1xbu n LEU 86 Cb 0.47 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.39 1xbu n LEU 86 CO 0.51 0.33 0.35 1.51 -1.11 0.00 0.00 177.39 178.98 1xbu s ASP 87 N -2.15 6.45 0.34 1.96 -4.77 -1.24 -4.91 116.67 112.36 1xbu s ASP 87 Ca 0.15 0.94 0.08 0.00 -3.30 0.00 0.00 52.55 50.42 1xbu s ASP 87 Cb 0.15 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.69 1xbu s ASP 87 CO 0.48 -0.35 0.14 -0.94 0.70 0.00 0.00 175.17 175.21 1xbu s SER 88 N -3.32 4.68 0.98 2.11 1.04 -0.55 -4.16 113.70 114.49 1xbu s SER 88 Ca 0.48 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 1xbu s SER 88 Cb -0.10 -0.72 0.18 0.00 0.10 0.00 0.00 66.02 65.48 1xbu s SER 88 CO 0.33 -0.31 1.09 0.68 0.98 0.00 0.00 173.24 176.01 1xbu s VAL 89 N -2.43 2.32 -1.52 5.02 -7.23 -1.26 -3.82 120.40 111.47 1xbu s VAL 89 Ca 0.38 0.10 0.30 0.00 -1.81 0.00 0.00 61.98 60.95 1xbu s VAL 89 Cb -0.02 -2.32 0.55 0.00 0.56 0.00 0.00 36.38 35.14 1xbu s VAL 89 CO 0.23 -0.13 2.03 -1.54 -0.31 0.00 0.00 175.10 175.37 1xbu n SER 90 N -4.30 0.10 0.14 4.85 3.41 -1.26 -3.53 113.62 113.03 1xbu n SER 90 Ca 0.07 -0.31 0.13 0.00 -0.26 0.00 0.00 58.87 58.50 1xbu n SER 90 Cb 0.54 -0.21 0.45 0.00 -0.26 0.00 0.00 64.21 64.73 1xbu n SER 90 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xbu h SER 91 N 0.11 0.00 -0.47 4.04 4.64 -1.90 -3.43 113.55 116.54 1xbu h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xbu h SER 91 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1xbu h SER 91 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1xbu n GLY 92 N 0.63 1.36 0.07 -0.77 0.00 -1.23 -3.64 105.19 101.61 1xbu n GLY 92 Ca 0.04 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1xbu n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbu n ALA 93 N -3.00 2.33 -3.55 4.61 0.00 -1.19 -3.85 120.51 115.86 1xbu n ALA 93 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1xbu n ALA 93 Cb 0.00 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.06 1xbu n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbu n GLY 94 N 1.37 -0.38 0.06 0.00 0.00 -1.12 -4.64 105.19 100.49 1xbu n GLY 94 Ca 0.06 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1xbu n GLY 94 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xbu h ILE 95 N -2.02 1.52 -0.07 -0.61 1.08 -1.60 0.28 117.51 116.10 1xbu h ILE 95 Ca -0.59 -1.55 -0.18 0.00 -0.39 0.00 0.00 64.86 62.15 1xbu h ILE 95 Cb 1.35 2.58 0.01 0.00 -3.07 0.00 0.00 36.82 37.69 1xbu h ILE 95 CO 0.53 0.40 -0.65 -1.13 -0.69 0.00 0.00 178.15 176.61 1xbu h ASN 96 N -0.66 0.69 -3.94 1.72 -1.24 -1.79 0.18 115.58 110.53 1xbu h ASN 96 Ca -0.00 -0.69 -0.71 0.00 0.71 0.00 0.00 56.30 55.61 1xbu h ASN 96 Cb 0.66 -0.21 -0.33 0.00 0.73 0.00 0.00 38.32 39.17 1xbu h ASN 96 CO 0.00 1.27 -0.32 -0.62 -1.29 0.00 0.00 177.43 176.48 1xbu s ASP 97 N -6.85 5.51 -0.31 1.15 2.15 -1.24 -3.56 116.67 113.52 1xbu s ASP 97 Ca -0.12 -2.66 0.18 0.00 0.43 0.00 0.00 52.55 50.38 1xbu s ASP 97 Cb 0.06 -1.92 0.47 0.00 -0.30 0.00 0.00 42.92 41.23 1xbu s ASP 97 CO 0.85 -0.45 1.03 -3.20 -0.17 0.00 0.00 175.17 173.24 1xbu n ASN 98 N 3.81 1.98 -0.28 -0.34 5.15 -0.84 -4.34 115.26 120.40 1xbu n ASN 98 Ca 0.06 -2.62 0.05 0.00 -0.60 0.00 0.00 54.58 51.47 1xbu n ASN 98 Cb 0.40 -0.50 0.27 0.00 -0.53 0.00 0.00 39.78 39.42 1xbu n ASN 98 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1xbu h GLY 99 N 2.78 1.24 0.89 8.20 0.00 -0.03 -1.54 103.07 114.61 1xbu h GLY 99 Ca -0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xbu h GLY 99 CO 0.43 0.27 -0.12 1.48 0.00 0.00 0.00 176.54 178.60 1xbu h SER 100 N 0.95 -0.31 -0.36 0.19 4.64 -0.73 0.21 113.55 118.14 1xbu h SER 100 Ca 0.38 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1xbu h SER 100 Cb 0.24 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1xbu h SER 100 CO -0.14 -0.19 -0.35 1.23 -0.87 0.00 0.00 176.83 176.51 1xbu h GLY 101 N -0.29 0.99 0.82 -0.77 0.00 -1.72 -1.91 103.07 100.19 1xbu h GLY 101 Ca -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 47.33 46.39 1xbu h GLY 101 CO -0.01 0.88 0.50 1.76 0.00 0.00 0.00 176.54 179.66 1xbu h SER 102 N 0.75 0.81 -0.16 0.19 0.02 -0.90 -1.46 113.55 112.79 1xbu h SER 102 Ca 0.07 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 1xbu h SER 102 Cb 0.93 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1xbu h SER 102 CO 0.09 0.54 -0.49 0.00 -1.14 0.00 0.00 176.83 175.83 1xbu h ALA 103 N 1.35 0.63 -0.47 3.77 0.00 -0.46 -0.70 119.26 123.39 1xbu h ALA 103 Ca 0.33 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1xbu h ALA 103 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xbu h ALA 103 CO -0.13 0.68 -0.18 0.00 0.00 0.00 0.00 179.25 179.62 1xbu h ALA 104 N 0.87 0.65 -0.44 0.00 0.00 -1.11 0.15 119.26 119.38 1xbu h ALA 104 Ca 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1xbu h ALA 104 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xbu h ALA 104 CO 0.10 0.61 -0.06 0.28 0.00 0.00 0.00 179.25 180.19 1xbu h VAL 105 N 0.79 1.27 -0.38 0.00 2.07 -1.25 -0.74 116.25 118.02 1xbu h VAL 105 Ca 0.11 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1xbu h VAL 105 Cb 0.75 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1xbu h VAL 105 CO 0.06 0.39 0.20 0.25 0.02 0.00 0.00 177.57 178.49 1xbu h LEU 106 N 0.65 0.47 -1.03 2.57 5.85 -0.98 -1.21 115.31 121.64 1xbu h LEU 106 Ca 0.12 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1xbu h LEU 106 Cb 0.57 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xbu h LEU 106 CO 0.03 0.43 -0.43 -0.08 -0.34 0.00 0.00 178.44 178.05 1xbu h GLU 107 N 0.48 0.11 -0.39 1.25 4.57 -0.81 0.17 114.58 119.95 1xbu h GLU 107 Ca 0.13 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1xbu h GLU 107 Cb 0.06 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1xbu h GLU 107 CO -0.02 0.52 0.15 1.15 -1.18 0.00 0.00 179.01 179.63 1xbu h THR 108 N 0.09 1.20 -0.67 0.32 2.02 -0.88 0.40 112.91 115.39 1xbu h THR 108 Ca 0.01 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1xbu h THR 108 Cb 0.80 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1xbu h THR 108 CO 0.06 0.22 0.44 0.00 0.37 0.00 0.00 175.52 176.61 1xbu h ALA 109 N 0.99 0.85 -0.45 6.16 0.00 -0.57 -1.06 119.26 125.18 1xbu h ALA 109 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xbu h ALA 109 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xbu h ALA 109 CO -0.01 0.26 -0.07 -0.07 0.00 0.00 0.00 179.25 179.36 1xbu h LEU 110 N 0.89 0.78 -1.26 0.00 3.38 -0.69 -2.76 115.31 115.64 1xbu h LEU 110 Ca 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xbu h LEU 110 Cb -0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1xbu h LEU 110 CO -0.06 0.89 0.34 0.00 0.09 0.00 0.00 178.44 179.69 1xbu h ALA 111 N 1.19 1.44 -0.44 1.53 0.00 -0.27 -0.50 119.26 122.21 1xbu h ALA 111 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xbu h ALA 111 Cb 0.55 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xbu h ALA 111 CO 0.03 0.46 0.23 0.28 0.00 0.00 0.00 179.25 180.26 1xbu h VAL 112 N 0.85 0.99 -0.35 0.00 2.07 -0.92 -0.85 116.25 118.04 1xbu h VAL 112 Ca 0.22 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1xbu h VAL 112 Cb 0.02 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1xbu h VAL 112 CO -0.04 0.08 0.03 -1.28 0.02 0.00 0.00 177.57 176.39 1xbu h SER 113 N 0.46 0.58 -0.20 0.57 0.87 -1.39 -2.09 113.55 112.36 1xbu h SER 113 Ca 0.19 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1xbu h SER 113 Cb 0.07 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1xbu h SER 113 CO -0.12 0.72 0.07 -0.09 -0.53 0.00 0.00 176.83 176.88 1xbu h ARG 114 N 0.42 0.37 -0.00 2.24 2.43 -0.89 -1.96 114.38 116.99 1xbu h ARG 114 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xbu h ARG 114 Cb 0.41 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1xbu h ARG 114 CO 0.01 0.34 -0.12 0.00 -1.51 0.00 0.00 179.97 178.69 1xbu n ALA 115 N -2.49 2.72 -2.88 2.80 0.00 -0.34 -4.93 120.51 115.38 1xbu n ALA 115 Ca 0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1xbu n ALA 115 Cb 0.15 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.27 1xbu n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbu n GLY 116 N 1.37 -0.39 3.73 0.00 0.00 -0.74 -4.94 105.19 104.22 1xbu n GLY 116 Ca 0.11 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1xbu n GLY 116 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xbu s TYR 117 N -3.10 3.78 -0.72 1.61 5.04 -0.82 -5.00 117.35 118.14 1xbu s TYR 117 Ca 0.25 1.77 0.01 0.00 -2.44 0.00 0.00 57.07 56.65 1xbu s TYR 117 Cb -0.11 -3.10 0.18 0.00 0.35 0.00 0.00 41.96 39.28 1xbu s TYR 117 CO 0.31 0.05 0.54 -1.14 -1.34 0.00 0.00 175.55 173.97 1xbu s GLN 118 N -0.19 2.70 0.54 4.97 0.74 -1.26 -4.88 119.66 122.27 1xbu s GLN 118 Ca 0.47 -3.02 -0.21 0.00 0.05 0.00 0.00 55.36 52.65 1xbu s GLN 118 Cb -0.25 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.14 1xbu s GLN 118 CO 0.31 -1.23 1.24 -1.25 -0.55 0.00 0.00 175.29 173.81 1xbu s PRO 119 N -0.91 3.25 0.18 1.67 0.04 -1.26 -4.93 135.00 133.04 1xbu s PRO 119 Ca 0.23 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 1xbu s PRO 119 Cb -0.12 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.34 1xbu s PRO 119 CO -0.09 -1.01 1.73 -0.44 0.04 0.00 0.00 177.00 177.22 1xbu h ASP 120 N 1.38 0.86 -3.59 6.66 3.32 -1.60 -3.38 116.42 120.07 1xbu h ASP 120 Ca -0.50 -0.18 -0.52 0.00 0.02 0.00 0.00 57.03 55.85 1xbu h ASP 120 Cb 1.28 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1xbu h ASP 120 CO 0.57 0.80 0.17 -0.54 -1.72 0.00 0.00 179.24 178.53 1xbu s LYS 121 N -5.52 4.44 0.19 3.56 1.02 -0.25 -0.79 119.74 122.39 1xbu s LYS 121 Ca -0.13 1.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.61 1xbu s LYS 121 Cb 0.13 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 1xbu s LYS 121 CO 0.80 0.46 1.55 -1.58 -0.92 0.00 0.00 175.35 175.66 1xbu s HIS 122 N -1.37 3.04 -0.08 3.18 5.65 -0.61 -4.60 115.29 120.50 1xbu s HIS 122 Ca 0.41 0.70 -0.13 0.00 0.25 0.00 0.00 55.06 56.29 1xbu s HIS 122 Cb -0.20 -3.92 -0.05 0.00 -1.18 0.00 0.00 32.58 27.23 1xbu s HIS 122 CO 0.24 -3.31 0.32 -1.17 -0.65 0.00 0.00 174.74 170.16 1xbu s LEU 123 N 0.77 4.39 -0.05 8.88 2.96 -1.26 -0.62 118.68 133.75 1xbu s LEU 123 Ca 0.68 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1xbu s LEU 123 Cb -0.44 -2.41 0.03 0.00 0.50 0.00 0.00 46.19 43.87 1xbu s LEU 123 CO 0.34 0.27 0.01 -0.60 -1.32 0.00 0.00 176.35 175.06 1xbu s ARG 124 N -0.59 0.34 0.10 1.98 3.52 -0.65 -0.85 118.95 122.81 1xbu s ARG 124 Ca 0.20 0.15 0.05 0.00 -0.13 0.00 0.00 55.73 56.00 1xbu s ARG 124 Cb -0.15 -0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 32.53 1xbu s ARG 124 CO 0.08 -0.24 0.00 -0.06 -0.81 0.00 0.00 175.30 174.28 1xbu s PHE 125 N 1.63 2.98 0.00 5.12 0.08 0.12 -2.17 117.98 125.75 1xbu s PHE 125 Ca -0.01 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1xbu s PHE 125 Cb -0.13 -1.52 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1xbu s PHE 125 CO -0.03 0.48 -0.02 0.00 -0.10 0.00 0.00 175.22 175.55 1xbu s ALA 126 N -1.35 0.15 -0.24 5.36 0.00 -0.13 -0.38 121.76 125.18 1xbu s ALA 126 Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1xbu s ALA 126 Cb -0.11 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1xbu s ALA 126 CO 0.18 0.01 -0.12 -1.58 0.00 0.00 0.00 175.76 174.26 1xbu s TRP 127 N -0.23 3.12 0.07 0.00 0.51 -0.08 -1.96 118.94 120.37 1xbu s TRP 127 Ca -0.01 -2.04 -0.21 0.00 -2.12 0.00 0.00 56.10 51.72 1xbu s TRP 127 Cb -0.02 -1.95 -0.06 0.00 -0.81 0.00 0.00 33.47 30.62 1xbu s TRP 127 CO -0.00 -0.84 0.61 -1.58 -0.51 0.00 0.00 176.95 174.63 1xbu s TRP 128 N 1.18 3.79 0.44 -1.98 0.52 -0.81 -0.85 118.94 121.24 1xbu s TRP 128 Ca -0.04 1.31 -0.06 0.00 0.02 0.00 0.00 56.10 57.32 1xbu s TRP 128 Cb -0.18 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 1xbu s TRP 128 CO -0.07 0.51 0.76 0.20 0.02 0.00 0.00 176.95 178.37 1xbu s GLY 129 N -0.86 1.64 -1.49 0.98 0.00 -1.03 -0.62 107.32 105.94 1xbu s GLY 129 Ca 0.31 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 1xbu s GLY 129 CO 0.20 -0.27 0.07 0.00 0.00 0.00 0.00 173.10 173.10 1xbu n ALA 130 N -1.89 -0.72 -0.16 3.20 0.00 -1.26 -1.58 120.51 118.10 1xbu n ALA 130 Ca 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 1xbu n ALA 130 Cb 0.55 -2.12 0.23 0.00 0.00 0.00 0.00 19.45 18.11 1xbu n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xbu h GLU 131 N -0.15 0.88 0.00 0.00 4.22 -1.91 -2.16 114.58 115.46 1xbu h GLU 131 Ca -0.43 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.91 1xbu h GLU 131 Cb 1.31 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1xbu h GLU 131 CO 0.50 0.67 0.00 0.39 -2.18 0.00 0.00 179.01 178.39 1xbu n GLU 132 N -4.35 0.01 0.00 1.92 -0.58 -1.26 -1.17 120.64 115.21 1xbu n GLU 132 Ca 0.06 0.26 0.13 0.00 -0.42 0.00 0.00 57.16 57.20 1xbu n GLU 132 Cb 0.13 -1.53 0.46 0.00 -0.57 0.00 0.00 31.44 29.93 1xbu n GLU 132 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xbu n LEU 133 N -1.55 1.16 0.00 -4.62 4.32 -0.87 -4.89 117.00 110.55 1xbu n LEU 133 Ca 0.03 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 1xbu n LEU 133 Cb 0.17 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1xbu n LEU 133 CO 0.14 0.21 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1xbu n GLY 134 N 1.27 0.96 2.67 -0.72 0.00 -0.45 -4.76 105.19 104.14 1xbu n GLY 134 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1xbu n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xbu n LEU 135 N 0.00 -2.21 -0.15 0.99 4.77 -0.32 -4.89 117.00 115.20 1xbu n LEU 135 Ca 0.00 -0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1xbu n LEU 135 Cb 0.00 -2.92 -0.01 0.00 -2.33 0.00 0.00 43.42 38.16 1xbu n LEU 135 CO 0.00 -0.03 0.72 0.40 -1.33 0.00 0.00 177.39 177.15 1xbu h ILE 136 N -0.57 1.27 -0.17 -0.08 1.08 -1.63 -0.77 117.51 116.64 1xbu h ILE 136 Ca -0.50 -1.22 -0.05 0.00 -0.39 0.00 0.00 64.86 62.69 1xbu h ILE 136 Cb 1.36 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1xbu h ILE 136 CO 0.57 0.42 -0.10 1.23 -0.69 0.00 0.00 178.15 179.58 1xbu h GLY 137 N 0.71 0.41 1.35 5.37 0.00 -1.45 -0.71 103.07 108.74 1xbu h GLY 137 Ca 0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1xbu h GLY 137 CO 0.04 0.35 -0.26 1.48 0.00 0.00 0.00 176.54 178.15 1xbu h SER 138 N 0.05 0.76 -0.68 0.19 4.64 -1.74 -0.54 113.55 116.23 1xbu h SER 138 Ca 0.04 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1xbu h SER 138 Cb 0.60 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1xbu h SER 138 CO 0.03 0.99 0.44 0.11 -0.87 0.00 0.00 176.83 177.53 1xbu h LYS 139 N 0.64 0.87 -0.45 4.77 1.57 -1.12 -0.89 116.57 121.95 1xbu h LYS 139 Ca 0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xbu h LYS 139 Cb 0.78 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1xbu h LYS 139 CO 0.06 0.57 0.28 0.35 -0.57 0.00 0.00 179.45 180.15 1xbu h PHE 140 N 0.89 0.53 0.04 -1.35 3.04 -0.62 0.13 116.94 119.60 1xbu h PHE 140 Ca 0.26 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.23 1xbu h PHE 140 Cb -0.07 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 1xbu h PHE 140 CO -0.03 0.32 -0.07 -0.92 -2.02 0.00 0.00 178.31 175.59 1xbu h TYR 141 N 0.58 -0.19 -0.59 0.41 3.20 -0.73 -1.18 116.97 118.47 1xbu h TYR 141 Ca 0.17 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1xbu h TYR 141 Cb -0.03 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1xbu h TYR 141 CO -0.06 -0.12 0.00 0.28 -1.64 0.00 0.00 178.16 176.63 1xbu h VAL 142 N -0.15 1.26 0.00 1.81 2.07 -0.94 -1.20 116.25 119.11 1xbu h VAL 142 Ca 0.02 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1xbu h VAL 142 Cb 0.16 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1xbu h VAL 142 CO -0.05 0.41 -0.12 0.78 0.02 0.00 0.00 177.57 178.60 1xbu h ASN 143 N 0.93 0.00 -0.35 0.57 -0.26 -0.56 -2.58 115.58 113.34 1xbu h ASN 143 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1xbu h ASN 143 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1xbu h ASN 143 CO 0.03 0.12 0.00 0.59 -1.06 0.00 0.00 177.43 177.11 1xbu n ASN 144 N -3.87 3.06 -4.58 5.81 3.02 -0.46 -4.89 115.26 113.34 1xbu n ASN 144 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1xbu n ASN 144 Cb 0.22 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 1xbu n ASN 144 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xbu s LEU 145 N -1.16 4.19 0.66 3.41 2.96 -0.49 -5.03 118.68 123.23 1xbu s LEU 145 Ca 0.30 0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 54.35 1xbu s LEU 145 Cb 0.17 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1xbu s LEU 145 CO 0.23 -0.58 1.05 -2.65 -1.32 0.00 0.00 176.35 173.08 1xbu n PRO 146 N 6.06 0.78 -0.06 0.98 -0.02 -1.26 -4.62 135.00 136.86 1xbu n PRO 146 Ca -0.00 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1xbu n PRO 146 Cb 0.49 -2.28 0.47 0.00 -0.02 0.00 0.00 33.50 32.15 1xbu n PRO 146 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1xbu h SER 147 N 0.17 0.41 -0.03 2.55 0.02 -1.95 0.64 113.55 115.35 1xbu h SER 147 Ca -0.49 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1xbu h SER 147 Cb 1.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1xbu h SER 147 CO 0.50 0.26 -0.17 0.00 -1.14 0.00 0.00 176.83 176.28 1xbu h ALA 148 N 1.71 1.29 0.06 3.77 0.00 -2.00 -1.67 119.26 122.41 1xbu h ALA 148 Ca 0.24 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1xbu h ALA 148 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xbu h ALA 148 CO -0.07 0.47 -1.09 -0.44 0.00 0.00 0.00 179.25 178.12 1xbu h ASP 149 N 0.35 0.23 -0.97 0.00 3.32 -1.43 -3.27 116.42 114.66 1xbu h ASP 149 Ca 0.06 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1xbu h ASP 149 Cb 0.51 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1xbu h ASP 149 CO 0.03 1.16 0.64 0.03 -1.72 0.00 0.00 179.24 179.38 1xbu h ARG 150 N 0.05 1.24 0.00 3.56 3.08 -0.45 -1.99 114.38 119.87 1xbu h ARG 150 Ca -0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xbu h ARG 150 Cb 1.82 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1xbu h ARG 150 CO 0.16 0.82 0.00 0.66 -1.07 0.00 0.00 179.97 180.55 1xbu h SER 151 N 1.28 0.00 0.92 7.04 4.64 -1.38 -1.84 113.55 124.21 1xbu h SER 151 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1xbu h SER 151 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1xbu h SER 151 CO -0.09 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.14 1xbu n LYS 152 N -2.86 0.07 -2.59 4.77 5.02 -0.75 -4.82 118.16 116.99 1xbu n LYS 152 Ca 0.00 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1xbu n LYS 152 Cb 0.23 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1xbu n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xbu s LEU 153 N -2.93 4.13 0.25 -0.35 1.43 -0.69 -0.56 118.68 119.95 1xbu s LEU 153 Ca 0.16 1.48 0.13 0.00 -1.03 0.00 0.00 54.13 54.87 1xbu s LEU 153 Cb 0.19 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.94 1xbu s LEU 153 CO 0.53 -0.69 1.44 0.00 0.23 0.00 0.00 176.35 177.86 1xbu h ALA 154 N 7.64 0.63 -1.00 4.21 0.00 -0.73 -3.44 119.26 126.57 1xbu h ALA 154 Ca -0.22 -0.56 0.33 0.00 0.00 0.00 0.00 54.91 54.46 1xbu h ALA 154 Cb 1.08 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.55 1xbu h ALA 154 CO 0.97 0.77 1.00 0.20 0.00 0.00 0.00 179.25 182.19 1xbu s GLY 155 N -4.51 -0.14 -0.09 0.00 0.00 -1.23 -4.50 107.32 96.84 1xbu s GLY 155 Ca 0.03 2.10 0.00 0.00 0.00 0.00 0.00 44.72 46.85 1xbu s GLY 155 CO 0.76 0.72 -0.09 -0.47 0.00 0.00 0.00 173.10 174.02 1xbu s TYR 156 N -1.85 1.42 -0.20 1.90 5.04 0.24 -1.13 117.35 122.78 1xbu s TYR 156 Ca 0.12 -0.64 -0.07 0.00 -2.44 0.00 0.00 57.07 54.04 1xbu s TYR 156 Cb -0.01 -1.15 -0.03 0.00 0.35 0.00 0.00 41.96 41.12 1xbu s TYR 156 CO -0.03 -0.42 0.05 -0.51 -1.34 0.00 0.00 175.55 173.30 1xbu s LEU 157 N 1.34 3.60 -0.01 6.97 1.43 -0.08 -2.08 118.68 129.85 1xbu s LEU 157 Ca -0.02 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1xbu s LEU 157 Cb -0.14 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1xbu s LEU 157 CO -0.04 0.10 -0.16 0.21 0.23 0.00 0.00 176.35 176.69 1xbu s ASN 158 N 0.80 3.94 -0.27 2.29 2.47 0.07 -0.67 114.94 123.58 1xbu s ASN 158 Ca 0.03 -0.29 -0.02 0.00 0.42 0.00 0.00 52.86 53.00 1xbu s ASN 158 Cb -0.14 -0.75 0.09 0.00 -1.45 0.00 0.00 41.25 39.00 1xbu s ASN 158 CO 0.02 0.30 0.08 -0.36 -3.72 0.00 0.00 177.10 173.42 1xbu s PHE 159 N -0.83 1.37 -0.24 0.43 0.08 -0.62 -2.60 117.98 115.57 1xbu s PHE 159 Ca 0.13 -1.37 -0.03 0.00 0.12 0.00 0.00 56.93 55.78 1xbu s PHE 159 Cb -0.11 -1.41 0.08 0.00 -0.57 0.00 0.00 43.02 41.02 1xbu s PHE 159 CO 0.03 -0.79 0.09 0.34 -0.10 0.00 0.00 175.22 174.79 1xbu s ASP 160 N 1.74 3.22 -0.11 1.36 -1.08 -1.25 -4.29 116.67 116.26 1xbu s ASP 160 Ca 0.06 -1.09 -0.01 0.00 -0.52 0.00 0.00 52.55 50.99 1xbu s ASP 160 Cb -0.17 -0.50 0.00 0.00 -1.46 0.00 0.00 42.92 40.79 1xbu s ASP 160 CO -0.21 -0.38 0.02 0.23 0.52 0.00 0.00 175.17 175.35 1xbu n MET 161 N 5.12 -1.41 -0.01 4.34 2.81 -1.25 -4.71 117.12 122.00 1xbu n MET 161 Ca -0.06 1.42 0.00 0.00 -1.81 0.00 0.00 57.70 57.25 1xbu n MET 161 Cb 0.45 -2.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 1xbu n MET 161 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1xbu n ILE 162 N 0.33 0.44 -1.89 2.02 -5.35 -1.26 -1.02 119.36 112.64 1xbu n ILE 162 Ca -0.03 -0.45 0.04 0.00 -0.27 0.00 0.00 62.75 62.04 1xbu n ILE 162 Cb 0.04 0.76 0.15 0.00 -1.74 0.00 0.00 39.64 38.85 1xbu n ILE 162 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xbu n GLY 163 N -0.23 4.00 3.74 3.28 0.00 -1.26 -3.38 105.19 111.33 1xbu n GLY 163 Ca 0.00 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1xbu n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xbu n SER 164 N -0.65 3.77 0.31 1.61 7.64 -1.26 -0.50 113.62 124.54 1xbu n SER 164 Ca 0.16 1.15 0.18 0.00 1.01 0.00 0.00 58.87 61.37 1xbu n SER 164 Cb 0.83 -1.58 1.01 0.00 -1.01 0.00 0.00 64.21 63.46 1xbu n SER 164 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1xbu h PRO 165 N 4.69 0.00 -2.20 1.43 0.11 -1.75 -3.03 132.00 131.25 1xbu h PRO 165 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 1xbu h PRO 165 Cb 1.23 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.92 1xbu h PRO 165 CO 0.79 0.02 -0.71 -1.71 -0.21 0.00 0.00 178.00 176.17 1xbu n ASN 166 N -3.44 3.49 -4.80 -2.05 5.15 -0.55 -4.68 115.26 108.37 1xbu n ASN 166 Ca -0.03 -3.44 -0.34 0.00 -0.60 0.00 0.00 54.58 50.18 1xbu n ASN 166 Cb 0.11 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.71 1xbu n ASN 166 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xbu s PRO 167 N -2.79 3.84 0.46 1.20 0.04 -1.14 -4.32 135.00 132.28 1xbu s PRO 167 Ca 0.43 1.28 0.08 0.00 0.04 0.00 0.00 61.00 62.83 1xbu s PRO 167 Cb 0.23 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1xbu s PRO 167 CO -0.08 -0.39 0.45 0.20 0.04 0.00 0.00 177.00 177.22 1xbu s GLY 168 N -2.15 2.12 -0.40 0.56 0.00 -0.52 -4.91 107.32 102.01 1xbu s GLY 168 Ca 0.66 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 43.63 1xbu s GLY 168 CO 0.21 -1.73 0.12 -0.19 0.00 0.00 0.00 173.10 171.51 1xbu s TYR 169 N -2.54 3.52 -0.10 1.90 2.02 -1.26 -4.15 117.35 116.74 1xbu s TYR 169 Ca 0.48 -3.03 -0.02 0.00 -0.37 0.00 0.00 57.07 54.12 1xbu s TYR 169 Cb -0.04 -2.86 -0.03 0.00 -0.40 0.00 0.00 41.96 38.63 1xbu s TYR 169 CO 0.28 -0.88 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.32 1xbu s PHE 170 N 0.52 3.13 -0.09 2.71 0.08 -0.09 -1.29 117.98 122.96 1xbu s PHE 170 Ca 0.13 0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.32 1xbu s PHE 170 Cb -0.21 -1.83 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1xbu s PHE 170 CO -0.06 0.36 -0.24 0.08 -0.10 0.00 0.00 175.22 175.27 1xbu s VAL 171 N -0.60 2.01 0.41 -0.44 1.01 -0.37 -1.61 120.40 120.81 1xbu s VAL 171 Ca 0.10 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1xbu s VAL 171 Cb -0.12 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1xbu s VAL 171 CO 0.02 0.55 1.44 -0.31 0.00 0.00 0.00 175.10 176.80 1xbu s TYR 172 N 0.22 2.55 -0.98 5.22 1.51 -0.18 -2.25 117.35 123.44 1xbu s TYR 172 Ca -0.15 1.24 -0.01 0.00 -1.01 0.00 0.00 57.07 57.14 1xbu s TYR 172 Cb -0.17 -3.94 0.31 0.00 -0.11 0.00 0.00 41.96 38.06 1xbu s TYR 172 CO 0.07 -2.86 1.51 -3.47 -1.11 0.00 0.00 175.55 169.70 1xbu n ASP 173 N 0.12 6.42 0.00 2.29 2.03 -1.26 -4.67 116.55 121.48 1xbu n ASP 173 Ca 0.03 -3.55 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1xbu n ASP 173 Cb 0.41 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1xbu n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xbu n ASP 174 N 0.62 0.00 -4.65 1.67 8.00 -1.26 -5.02 116.55 115.90 1xbu n ASP 174 Ca 0.35 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.39 1xbu n ASP 174 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1xbu n ASP 174 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xbu n ASP 175 N 0.00 2.54 0.00 -2.24 2.03 -0.64 -4.87 116.55 113.37 1xbu n ASP 175 Ca 0.00 1.14 -0.06 0.00 0.52 0.00 0.00 54.79 56.38 1xbu n ASP 175 Cb 0.00 -1.39 0.13 0.00 -0.72 0.00 0.00 41.12 39.14 1xbu n ASP 175 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xbu h PRO 176 N 4.24 0.53 -0.21 -0.67 0.13 -1.95 -1.33 132.00 132.73 1xbu h PRO 176 Ca -0.45 -0.26 -0.11 0.00 -0.87 0.00 0.00 66.00 64.31 1xbu h PRO 176 Cb 1.29 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xbu h PRO 176 CO 0.76 0.83 -0.31 0.28 -0.23 0.00 0.00 178.00 179.33 1xbu h VAL 177 N 0.44 1.33 -0.30 1.56 2.07 -1.97 -0.92 116.25 118.46 1xbu h VAL 177 Ca 0.04 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1xbu h VAL 177 Cb 0.86 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1xbu h VAL 177 CO 0.07 0.47 0.12 0.40 0.02 0.00 0.00 177.57 178.65 1xbu h ILE 178 N 0.26 1.18 -0.86 4.57 2.04 -1.89 -1.69 117.51 121.13 1xbu h ILE 178 Ca 0.02 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1xbu h ILE 178 Cb 0.89 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1xbu h ILE 178 CO 0.07 0.19 0.52 -0.08 0.00 0.00 0.00 178.15 178.86 1xbu h GLU 179 N 0.34 1.16 -0.71 2.37 4.81 -1.16 -2.25 114.58 119.14 1xbu h GLU 179 Ca 0.10 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1xbu h GLU 179 Cb 0.19 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1xbu h GLU 179 CO -0.01 0.81 0.28 -0.22 -0.73 0.00 0.00 179.01 179.14 1xbu h LYS 180 N 1.17 1.04 -0.39 1.92 1.63 -0.93 0.00 116.57 121.02 1xbu h LYS 180 Ca 0.31 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1xbu h LYS 180 Cb -0.05 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 1xbu h LYS 180 CO -0.06 0.85 0.19 0.00 -3.45 0.00 0.00 179.45 176.99 1xbu h THR 181 N 1.02 1.17 -0.23 1.00 1.03 -0.77 0.16 112.91 116.29 1xbu h THR 181 Ca 0.24 -0.47 -0.06 0.00 -0.01 0.00 0.00 66.41 66.10 1xbu h THR 181 Cb 0.20 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.03 1xbu h THR 181 CO -0.02 0.18 -0.11 -0.26 -0.01 0.00 0.00 175.52 175.30 1xbu h PHE 182 N 0.50 0.55 -0.46 0.00 0.04 -1.02 -2.77 116.94 113.78 1xbu h PHE 182 Ca 0.14 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1xbu h PHE 182 Cb 0.11 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1xbu h PHE 182 CO -0.01 0.75 0.20 0.87 -0.60 0.00 0.00 178.31 179.52 1xbu h LYS 183 N 0.20 0.65 -0.70 1.51 1.57 -0.79 -1.95 116.57 117.05 1xbu h LYS 183 Ca 0.05 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1xbu h LYS 183 Cb 0.60 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1xbu h LYS 183 CO 0.03 0.52 0.34 -0.91 -0.57 0.00 0.00 179.45 178.86 1xbu h ASN 184 N 0.65 0.90 -0.18 0.86 2.35 -0.58 -0.36 115.58 119.23 1xbu h ASN 184 Ca 0.16 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1xbu h ASN 184 Cb 0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1xbu h ASN 184 CO -0.02 0.77 0.09 0.22 -1.65 0.00 0.00 177.43 176.84 1xbu h TYR 185 N 1.00 0.25 -0.23 1.19 3.20 -1.08 -2.14 116.97 119.15 1xbu h TYR 185 Ca 0.24 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1xbu h TYR 185 Cb 0.10 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1xbu h TYR 185 CO 0.01 0.24 -0.19 0.74 -1.64 0.00 0.00 178.16 177.32 1xbu h PHE 186 N 0.18 0.44 -0.99 -3.82 0.04 -1.18 -2.03 116.94 109.57 1xbu h PHE 186 Ca 0.06 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1xbu h PHE 186 Cb 0.08 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 1xbu h PHE 186 CO -0.04 0.58 0.66 0.00 -0.60 0.00 0.00 178.31 178.91 1xbu h ALA 187 N 1.44 1.30 0.00 2.45 0.00 -0.80 -0.83 119.26 122.82 1xbu h ALA 187 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xbu h ALA 187 Cb 0.55 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xbu h ALA 187 CO 0.04 0.65 -0.08 0.78 0.00 0.00 0.00 179.25 180.64 1xbu h GLY 188 N 1.34 0.00 0.35 0.00 0.00 -0.71 -1.09 103.07 102.96 1xbu h GLY 188 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1xbu h GLY 188 CO -0.08 0.00 -0.37 1.04 0.00 0.00 0.00 176.54 177.13 1xbu n LEU 189 N -3.44 0.95 -3.65 3.11 4.77 -0.39 -4.96 117.00 113.39 1xbu n LEU 189 Ca -0.02 -0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 1xbu n LEU 189 Cb 0.22 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1xbu n LEU 189 CO 0.28 0.19 0.16 0.59 -1.33 0.00 0.00 177.39 177.28 1xbu n ASN 190 N -0.86 -4.75 -4.19 -1.43 3.02 -0.41 -5.01 115.26 101.63 1xbu n ASN 190 Ca 0.10 -0.64 -0.34 0.00 -0.03 0.00 0.00 54.58 53.67 1xbu n ASN 190 Cb 0.35 -4.70 -0.15 0.00 -0.61 0.00 0.00 39.78 34.68 1xbu n ASN 190 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xbu s VAL 191 N -3.36 2.61 0.68 2.41 0.11 -0.80 -5.04 120.40 117.02 1xbu s VAL 191 Ca 0.44 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.47 1xbu s VAL 191 Cb -0.20 -2.21 0.01 0.00 -1.53 0.00 0.00 36.38 32.45 1xbu s VAL 191 CO 0.76 0.39 1.11 -2.16 -3.33 0.00 0.00 175.10 171.88 1xbu s PRO 192 N 1.34 2.69 0.25 1.54 0.04 -1.26 -4.36 135.00 135.24 1xbu s PRO 192 Ca 0.03 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1xbu s PRO 192 Cb -0.15 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1xbu s PRO 192 CO -0.08 -1.33 -0.09 0.95 0.04 0.00 0.00 177.00 176.48 1xbu s THR 193 N -2.39 1.67 0.17 1.26 -4.23 -1.26 -4.69 115.64 106.17 1xbu s THR 193 Ca 0.67 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1xbu s THR 193 Cb -0.20 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 1xbu s THR 193 CO 0.43 -0.43 -0.10 -1.61 -0.54 0.00 0.00 174.62 172.38 1xbu s GLU 194 N -3.70 1.16 0.31 3.99 2.02 -0.41 -5.00 118.70 117.07 1xbu s GLU 194 Ca 0.26 -1.51 -0.29 0.00 0.02 0.00 0.00 54.97 53.45 1xbu s GLU 194 Cb 0.02 -0.75 -0.10 0.00 0.10 0.00 0.00 34.13 33.40 1xbu s GLU 194 CO 0.10 0.08 1.32 0.42 0.02 0.00 0.00 175.26 177.20 1xbu s ILE 195 N -3.25 2.76 0.16 -1.63 1.01 -1.26 -1.24 121.20 117.74 1xbu s ILE 195 Ca 0.19 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 1xbu s ILE 195 Cb 0.02 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 1xbu s ILE 195 CO 0.03 0.16 1.14 -0.70 0.00 0.00 0.00 174.94 175.57 1xbu s GLU 196 N -1.44 4.54 0.00 2.79 -6.30 -0.96 -4.79 118.70 112.54 1xbu s GLU 196 Ca 0.51 1.76 0.00 0.00 -2.50 0.00 0.00 54.97 54.74 1xbu s GLU 196 Cb -0.40 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.45 1xbu s GLU 196 CO 0.50 -0.03 0.00 0.25 0.02 0.00 0.00 175.26 176.01 1xbu n THR 197 N 2.71 0.00 0.21 -1.70 -2.24 -1.26 -4.72 114.28 107.27 1xbu n THR 197 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.85 1xbu n THR 197 Cb 0.46 -0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.80 1xbu n THR 197 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xbu n GLU 198 N -0.69 0.05 0.00 -0.78 2.13 -1.26 -5.05 120.64 115.04 1xbu n GLU 198 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1xbu n GLU 198 Cb 0.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1xbu n GLU 198 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xbu n GLY 201 N -0.91 0.12 3.53 8.31 0.00 -1.26 -5.12 105.19 109.86 1xbu n GLY 201 Ca 0.02 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1xbu n GLY 201 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xbu n ARG 202 N 0.00 3.10 -2.01 1.61 -4.01 -1.26 -4.50 116.66 109.59 1xbu n ARG 202 Ca 0.00 -3.20 -0.03 0.00 -1.04 0.00 0.00 57.85 53.59 1xbu n ARG 202 Cb 0.00 -3.50 -0.01 0.00 -3.04 0.00 0.00 32.46 25.92 1xbu n ARG 202 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1xbu n SER 203 N 8.54 -0.25 0.00 2.89 2.88 -1.26 -5.05 113.62 121.38 1xbu n SER 203 Ca 0.49 -1.34 0.10 0.00 -1.33 0.00 0.00 58.87 56.79 1xbu n SER 203 Cb 0.46 0.46 0.51 0.00 -0.75 0.00 0.00 64.21 64.89 1xbu n SER 203 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xbu n ASP 204 N -2.05 0.00 0.23 -3.46 8.00 -1.26 -1.23 116.55 116.77 1xbu n ASP 204 Ca 0.00 0.01 0.15 0.00 0.71 0.00 0.00 54.79 55.66 1xbu n ASP 204 Cb 0.11 -0.29 0.52 0.00 -0.02 0.00 0.00 41.12 41.43 1xbu n ASP 204 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1xbu h HIS 205 N 0.00 0.00 -0.52 1.24 2.07 -1.95 -3.35 115.15 112.64 1xbu h HIS 205 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xbu h HIS 205 Cb 0.20 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.15 1xbu h HIS 205 CO 0.00 0.00 0.33 0.00 -3.07 0.00 0.00 177.93 175.19 1xbu h ALA 206 N 2.09 0.66 -0.02 6.11 0.00 -1.40 0.44 119.26 127.14 1xbu h ALA 206 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xbu h ALA 206 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xbu h ALA 206 CO 0.00 0.12 -0.14 -1.35 0.00 0.00 0.00 179.25 177.88 1xbu h PRO 207 N 0.70 0.03 -0.01 0.00 0.11 -1.80 -0.36 132.00 130.66 1xbu h PRO 207 Ca 0.19 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1xbu h PRO 207 Cb -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1xbu h PRO 207 CO -0.04 0.17 -0.03 0.74 -0.21 0.00 0.00 178.00 178.63 1xbu h PHE 208 N 0.02 0.05 -0.86 0.65 -1.00 -1.63 -3.22 116.94 110.96 1xbu h PHE 208 Ca 0.00 -0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.87 1xbu h PHE 208 Cb 0.26 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.74 1xbu h PHE 208 CO 0.00 0.67 0.50 -0.22 -1.61 0.00 0.00 178.31 177.65 1xbu h LYS 209 N -0.58 0.80 0.00 1.51 3.64 -0.58 -1.59 116.57 119.77 1xbu h LYS 209 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xbu h LYS 209 Cb 0.67 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1xbu h LYS 209 CO 0.01 0.53 0.00 0.09 -2.27 0.00 0.00 179.45 177.81 1xbu n ASN 210 N -4.72 0.47 -0.71 4.20 5.03 -0.17 -1.52 115.26 117.83 1xbu n ASN 210 Ca 0.15 0.61 0.08 0.00 0.87 0.00 0.00 54.58 56.29 1xbu n ASN 210 Cb 0.30 -0.71 0.22 0.00 -1.02 0.00 0.00 39.78 38.57 1xbu n ASN 210 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1xbu n VAL 211 N -2.02 2.01 -0.53 2.41 0.24 -0.68 -4.97 118.33 114.79 1xbu n VAL 211 Ca 0.03 -1.78 0.00 0.00 -2.04 0.00 0.00 64.34 60.55 1xbu n VAL 211 Cb 0.22 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 1xbu n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xbu n GLY 212 N -0.49 0.74 3.72 7.63 0.00 -0.58 -5.04 105.19 111.17 1xbu n GLY 212 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xbu n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xbu s VAL 213 N -2.14 4.66 0.29 1.61 1.01 -0.72 -4.99 120.40 120.11 1xbu s VAL 213 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1xbu s VAL 213 Cb 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 1xbu s VAL 213 CO 0.00 0.20 1.57 -2.65 0.00 0.00 0.00 175.10 174.22 1xbu n PRO 214 N 3.57 2.61 -4.30 2.72 -0.02 -1.26 -4.07 135.00 134.25 1xbu n PRO 214 Ca 0.05 0.93 -0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1xbu n PRO 214 Cb 0.50 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 1xbu n PRO 214 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xbu s VAL 215 N -0.01 1.02 0.18 -1.45 -7.23 -1.26 -0.59 120.40 111.05 1xbu s VAL 215 Ca 0.65 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 1xbu s VAL 215 Cb -0.52 -2.20 0.05 0.00 0.56 0.00 0.00 36.38 34.27 1xbu s VAL 215 CO 0.49 -0.44 0.68 0.61 -0.31 0.00 0.00 175.10 176.13 1xbu n GLY 216 N -0.35 0.95 0.00 2.32 0.00 -0.88 -1.62 105.19 105.61 1xbu n GLY 216 Ca -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1xbu n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbu n GLY 217 N -0.47 -1.91 3.13 -0.02 0.00 -1.26 -0.75 105.19 103.90 1xbu n GLY 217 Ca -0.03 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 1xbu n GLY 217 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xbu s LEU 218 N 0.00 2.13 -0.11 0.99 1.43 -1.07 -1.01 118.68 121.04 1xbu s LEU 218 Ca 0.00 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 1xbu s LEU 218 Cb 0.00 -0.62 0.04 0.00 0.03 0.00 0.00 46.19 45.64 1xbu s LEU 218 CO 0.00 0.07 0.44 0.12 0.23 0.00 0.00 176.35 177.21 1xbu s PHE 219 N -0.69 -0.42 -0.50 0.29 5.36 -0.63 -3.79 117.98 117.59 1xbu s PHE 219 Ca 0.02 0.91 0.05 0.00 -0.96 0.00 0.00 56.93 56.96 1xbu s PHE 219 Cb -0.07 0.18 0.13 0.00 -0.34 0.00 0.00 43.02 42.92 1xbu s PHE 219 CO 0.01 -0.34 1.05 0.25 -1.46 0.00 0.00 175.22 174.73 1xbu n THR 220 N 2.09 0.83 0.00 0.12 -2.24 -0.19 -0.91 114.28 113.97 1xbu n THR 220 Ca -0.17 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1xbu n THR 220 Cb 0.57 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1xbu n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xbu n GLY 221 N 0.06 2.39 0.00 3.38 0.00 -1.26 -1.44 105.19 108.31 1xbu n GLY 221 Ca 0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1xbu n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbu n ALA 222 N 1.50 0.00 0.68 4.61 0.00 -1.26 -4.21 120.51 121.84 1xbu n ALA 222 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1xbu n ALA 222 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 1xbu n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbu n GLY 223 N 2.97 -1.58 3.75 0.00 0.00 -1.26 -0.80 105.19 108.27 1xbu n GLY 223 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1xbu n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xbu s TYR 224 N -3.10 2.44 0.11 1.61 1.51 -1.26 -4.72 117.35 113.94 1xbu s TYR 224 Ca 0.11 1.56 -0.22 0.00 -1.01 0.00 0.00 57.07 57.51 1xbu s TYR 224 Cb 0.13 -3.29 -0.07 0.00 -0.11 0.00 0.00 41.96 38.62 1xbu s TYR 224 CO 0.54 -1.98 0.66 0.99 -1.11 0.00 0.00 175.55 174.66 1xbu s THR 225 N -2.14 4.58 0.18 -0.71 2.01 -1.26 -1.73 115.64 116.57 1xbu s THR 225 Ca 0.70 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.84 1xbu s THR 225 Cb -0.24 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1xbu s THR 225 CO 0.41 0.53 1.37 -0.75 -0.69 0.00 0.00 174.62 175.49 1xbu s LYS 226 N -1.07 4.34 0.69 4.92 2.20 -0.21 -4.88 119.74 125.73 1xbu s LYS 226 Ca 0.32 2.11 -0.09 0.00 -0.36 0.00 0.00 55.97 57.95 1xbu s LYS 226 Cb -0.21 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1xbu s LYS 226 CO 0.22 -0.35 1.04 -1.54 -0.36 0.00 0.00 175.35 174.36 1xbu s SER 227 N 0.63 5.23 0.19 1.43 1.04 -1.26 -1.09 113.70 119.86 1xbu s SER 227 Ca 0.60 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.75 1xbu s SER 227 Cb -0.38 -1.62 0.21 0.00 0.10 0.00 0.00 66.02 64.33 1xbu s SER 227 CO 0.36 -1.40 1.72 0.00 0.98 0.00 0.00 173.24 174.90 1xbu h ALA 228 N -0.58 0.59 -0.32 5.32 0.00 -1.95 -0.31 119.26 122.02 1xbu h ALA 228 Ca -0.45 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1xbu h ALA 228 Cb 1.28 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1xbu h ALA 228 CO 0.63 -0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.42 1xbu h ALA 229 N 1.39 1.11 -0.18 0.00 0.00 -2.00 -1.61 119.26 117.99 1xbu h ALA 229 Ca 0.26 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1xbu h ALA 229 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xbu h ALA 229 CO -0.32 0.55 -0.47 1.96 0.00 0.00 0.00 179.25 180.96 1xbu h GLN 230 N 0.52 0.46 -0.24 0.00 4.20 -1.79 -1.90 115.11 116.37 1xbu h GLN 230 Ca 0.09 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 1xbu h GLN 230 Cb 0.59 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1xbu h GLN 230 CO 0.04 0.84 -0.23 0.00 -0.67 0.00 0.00 178.83 178.81 1xbu h ALA 231 N 1.12 1.17 -0.41 3.87 0.00 -0.71 -0.07 119.26 124.23 1xbu h ALA 231 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1xbu h ALA 231 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1xbu h ALA 231 CO 0.09 0.53 -0.09 1.96 0.00 0.00 0.00 179.25 181.74 1xbu h GLN 232 N 0.39 0.72 0.00 0.00 1.08 -1.01 0.17 115.11 116.46 1xbu h GLN 232 Ca 0.06 -0.22 -0.21 0.00 -1.45 0.00 0.00 58.65 56.83 1xbu h GLN 232 Cb 0.62 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1xbu h GLN 232 CO 0.04 0.79 -1.20 1.57 -0.95 0.00 0.00 178.83 179.08 1xbu h LYS 233 N 0.66 0.00 -0.00 1.46 2.10 -0.89 -3.39 116.57 116.50 1xbu h LYS 233 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1xbu h LYS 233 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1xbu h LYS 233 CO 0.03 0.64 -0.01 0.91 -2.00 0.00 0.00 179.45 179.03 1xbu n TRP 234 N -3.16 0.00 -4.37 0.07 8.01 -0.08 -4.84 117.44 113.07 1xbu n TRP 234 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 1xbu n TRP 234 Cb 0.92 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.22 1xbu n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xbu n GLY 235 N 0.41 -1.03 5.96 6.99 0.00 0.60 -4.97 105.19 113.15 1xbu n GLY 235 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1xbu n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xbu n GLY 236 N 0.00 0.33 2.82 -0.02 0.00 -1.26 -4.39 105.19 102.67 1xbu n GLY 236 Ca 0.00 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 1xbu n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xbu s THR 237 N 0.00 0.91 0.41 2.61 2.01 -1.26 -5.02 115.64 115.30 1xbu s THR 237 Ca 0.00 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 1xbu s THR 237 Cb 0.00 -1.27 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 1xbu s THR 237 CO 0.00 -0.10 1.32 0.00 -0.69 0.00 0.00 174.62 175.15 1xbu s ALA 238 N 1.69 3.25 0.00 7.40 0.00 -1.26 -2.90 121.76 129.94 1xbu s ALA 238 Ca -0.02 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1xbu s ALA 238 Cb -0.17 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1xbu s ALA 238 CO -0.07 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1xbu n GLY 239 N 0.65 1.06 3.65 0.00 0.00 -0.25 -4.98 105.19 105.32 1xbu n GLY 239 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1xbu n GLY 239 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xbu s GLN 240 N -0.43 2.39 0.60 1.61 -1.52 -1.14 -4.84 119.66 116.32 1xbu s GLN 240 Ca 0.00 -0.97 -0.19 0.00 -1.95 0.00 0.00 55.36 52.25 1xbu s GLN 240 Cb 0.00 -2.42 -0.04 0.00 -0.22 0.00 0.00 33.01 30.33 1xbu s GLN 240 CO 0.00 0.50 1.09 0.00 -0.25 0.00 0.00 175.29 176.64 1xbu n ALA 241 N 0.38 0.58 -0.33 6.09 0.00 -1.26 -1.05 120.51 124.92 1xbu n ALA 241 Ca -0.11 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1xbu n ALA 241 Cb 0.53 -2.19 0.18 0.00 0.00 0.00 0.00 19.45 17.97 1xbu n ALA 241 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xbu h PHE 242 N 0.65 1.02 -3.30 0.00 0.04 -1.12 -3.37 116.94 110.87 1xbu h PHE 242 Ca -0.49 0.03 -0.59 0.00 2.80 0.00 0.00 57.97 59.72 1xbu h PHE 242 Cb 1.35 -0.32 -0.40 0.00 2.20 0.00 0.00 35.95 38.78 1xbu h PHE 242 CO 0.39 0.46 -0.76 0.34 -0.60 0.00 0.00 178.31 178.15 1xbu s ASP 243 N -5.72 3.94 0.00 2.17 -1.08 0.02 -1.48 116.67 114.53 1xbu s ASP 243 Ca -0.12 -1.52 0.17 0.00 -0.52 0.00 0.00 52.55 50.55 1xbu s ASP 243 Cb 0.20 -0.96 0.79 0.00 -1.46 0.00 0.00 42.92 41.49 1xbu s ASP 243 CO 0.80 -0.37 1.50 0.54 0.52 0.00 0.00 175.17 178.16 1xbu n ARG 244 N 4.78 0.15 -0.29 4.34 1.74 -1.26 -2.82 116.66 123.31 1xbu n ARG 244 Ca -0.04 0.16 0.08 0.00 -0.77 0.00 0.00 57.85 57.29 1xbu n ARG 244 Cb 0.43 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.53 1xbu n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xbu n TYR 246 N -1.26 2.31 -1.89 0.00 9.36 -1.13 -1.16 117.16 123.40 1xbu n TYR 246 Ca 0.17 0.10 -0.21 0.00 3.32 0.00 0.00 57.90 61.28 1xbu n TYR 246 Cb 0.67 -2.62 -0.06 0.00 -0.63 0.00 0.00 39.34 36.70 1xbu n TYR 246 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1xbu n HIS 247 N 5.24 -0.38 -3.99 2.98 8.25 -1.26 -4.96 115.22 121.10 1xbu n HIS 247 Ca 0.20 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.43 1xbu n HIS 247 Cb 0.29 -3.64 -0.06 0.00 1.12 0.00 0.00 29.99 27.70 1xbu n HIS 247 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1xbu s SER 248 N -2.50 4.71 0.57 0.41 0.01 -0.31 -4.74 113.70 111.86 1xbu s SER 248 Ca 0.00 -0.84 0.34 0.00 1.31 0.00 0.00 55.95 56.76 1xbu s SER 248 Cb 0.00 -0.64 1.67 0.00 0.21 0.00 0.00 66.02 67.26 1xbu s SER 248 CO 0.00 -0.44 2.12 0.28 0.41 0.00 0.00 173.24 175.61 1xbu h SER 249 N 1.40 0.00 -0.20 2.44 0.02 -1.85 -1.99 113.55 113.37 1xbu h SER 249 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1xbu h SER 249 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1xbu h SER 249 CO 0.64 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 176.38 1xbu n ASP 251 N 0.10 4.21 -2.95 0.00 2.03 -0.75 -4.49 116.55 114.71 1xbu n ASP 251 Ca 0.07 -2.87 -0.09 0.00 0.52 0.00 0.00 54.79 52.42 1xbu n ASP 251 Cb 0.18 -1.63 -0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1xbu n ASP 251 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xbu n SER 252 N 5.69 1.75 0.23 1.67 3.41 -1.26 -1.69 113.62 123.41 1xbu n SER 252 Ca 0.51 -1.66 0.17 0.00 -0.26 0.00 0.00 58.87 57.63 1xbu n SER 252 Cb 0.38 0.01 0.84 0.00 -0.26 0.00 0.00 64.21 65.19 1xbu n SER 252 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xbu h LEU 253 N 0.00 0.00 0.00 1.04 3.38 -1.93 0.04 115.31 117.84 1xbu h LEU 253 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xbu h LEU 253 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xbu h LEU 253 CO 0.19 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.48 1xbu n SER 254 N -3.82 0.00 -2.38 -0.43 2.88 -1.26 -3.91 113.62 104.70 1xbu n SER 254 Ca 0.01 0.37 -0.28 0.00 -1.33 0.00 0.00 58.87 57.63 1xbu n SER 254 Cb 0.27 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1xbu n SER 254 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1xbu n ASN 255 N -1.45 6.89 -4.00 -3.46 5.15 0.00 -4.87 115.26 113.51 1xbu n ASN 255 Ca 0.08 -3.39 -0.20 0.00 -0.60 0.00 0.00 54.58 50.47 1xbu n ASN 255 Cb 0.28 -1.11 -0.15 0.00 -0.53 0.00 0.00 39.78 38.26 1xbu n ASN 255 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xbu s ILE 256 N -3.24 0.77 -0.35 -1.44 -1.09 -1.25 -4.36 121.20 110.23 1xbu s ILE 256 Ca 0.51 -0.36 -0.18 0.00 -2.23 0.00 0.00 60.65 58.39 1xbu s ILE 256 Cb 0.38 -0.68 -0.00 0.00 -1.58 0.00 0.00 42.46 40.58 1xbu s ILE 256 CO -0.16 0.24 0.50 0.21 -1.23 0.00 0.00 174.94 174.50 1xbu s ASN 257 N 0.12 6.30 0.24 3.58 3.84 0.34 -4.76 114.94 124.60 1xbu s ASN 257 Ca -0.02 -0.07 -0.06 0.00 0.21 0.00 0.00 52.86 52.91 1xbu s ASN 257 Cb -0.08 -2.26 0.23 0.00 -0.55 0.00 0.00 41.25 38.59 1xbu s ASN 257 CO 0.00 -0.48 1.88 0.44 -2.79 0.00 0.00 177.10 176.15 1xbu h ASP 258 N 8.48 1.14 -0.35 -4.21 3.32 -1.93 -1.16 116.42 121.71 1xbu h ASP 258 Ca -0.28 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1xbu h ASP 258 Cb 1.12 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1xbu h ASP 258 CO 0.77 0.88 0.13 0.74 -1.72 0.00 0.00 179.24 180.05 1xbu h THR 259 N 1.30 1.19 -0.55 0.35 2.02 -1.98 0.21 112.91 115.46 1xbu h THR 259 Ca 0.34 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1xbu h THR 259 Cb -0.04 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1xbu h THR 259 CO -0.06 0.21 0.19 0.00 0.37 0.00 0.00 175.52 176.23 1xbu h ALA 260 N 0.97 0.71 -0.69 6.16 0.00 -1.80 -0.39 119.26 124.23 1xbu h ALA 260 Ca 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xbu h ALA 260 Cb 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xbu h ALA 260 CO -0.01 0.36 0.43 1.25 0.00 0.00 0.00 179.25 181.28 1xbu h LEU 261 N 0.75 0.71 0.19 0.00 5.85 -0.97 -0.13 115.31 121.72 1xbu h LEU 261 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1xbu h LEU 261 Cb 0.25 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1xbu h LEU 261 CO -0.01 0.49 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.71 1xbu h ASP 262 N 0.84 -0.22 -0.39 1.25 3.58 -0.71 -0.75 116.42 120.02 1xbu h ASP 262 Ca 0.28 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.62 1xbu h ASP 262 Cb 0.03 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 1xbu h ASP 262 CO -0.11 0.01 0.21 0.03 -2.88 0.00 0.00 179.24 176.50 1xbu h ARG 263 N -0.45 0.41 -0.12 0.28 3.08 -0.92 -0.12 114.38 116.55 1xbu h ARG 263 Ca -0.03 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1xbu h ARG 263 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1xbu h ARG 263 CO 0.04 0.27 -0.51 -0.91 -1.07 0.00 0.00 179.97 177.80 1xbu h ASN 264 N 0.43 0.35 -0.47 7.04 2.35 -0.99 0.42 115.58 124.70 1xbu h ASN 264 Ca 0.16 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1xbu h ASN 264 Cb 0.05 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1xbu h ASN 264 CO -0.10 0.80 0.12 0.28 -1.65 0.00 0.00 177.43 176.88 1xbu h SER 265 N 0.25 0.70 -0.51 5.81 0.02 -0.80 0.13 113.55 119.16 1xbu h SER 265 Ca 0.01 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1xbu h SER 265 Cb 0.98 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1xbu h SER 265 CO 0.08 0.74 -0.00 0.44 -1.14 0.00 0.00 176.83 176.95 1xbu h ASP 266 N 0.63 0.92 -0.71 3.07 3.32 -0.81 -2.14 116.42 120.70 1xbu h ASP 266 Ca 0.15 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1xbu h ASP 266 Cb 0.31 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1xbu h ASP 266 CO -0.00 0.98 0.16 0.00 -1.72 0.00 0.00 179.24 178.66 1xbu h ALA 267 N 1.12 0.94 -0.21 3.45 0.00 -0.75 -0.54 119.26 123.26 1xbu h ALA 267 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xbu h ALA 267 Cb 0.52 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xbu h ALA 267 CO 0.03 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.89 1xbu h ALA 268 N 1.09 0.14 -0.74 0.00 0.00 -0.67 -0.09 119.26 118.99 1xbu h ALA 268 Ca 0.22 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xbu h ALA 268 Cb 0.39 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xbu h ALA 268 CO 0.01 -0.47 0.26 0.00 0.00 0.00 0.00 179.25 179.04 1xbu h ALA 269 N 1.21 0.96 -0.36 0.00 0.00 -1.16 -0.28 119.26 119.65 1xbu h ALA 269 Ca 0.10 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xbu h ALA 269 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xbu h ALA 269 CO -0.22 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.06 1xbu h HIS 270 N 1.08 0.29 -0.45 0.00 6.17 -0.77 -0.77 115.15 120.70 1xbu h HIS 270 Ca 0.24 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.26 1xbu h HIS 270 Cb 0.27 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.10 1xbu h HIS 270 CO 0.02 0.14 -0.02 0.00 0.71 0.00 0.00 177.93 178.79 1xbu h ALA 271 N 1.20 0.61 -0.73 5.26 0.00 -0.72 -0.81 119.26 124.08 1xbu h ALA 271 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xbu h ALA 271 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xbu h ALA 271 CO -0.13 0.42 0.28 0.82 0.00 0.00 0.00 179.25 180.65 1xbu h ILE 272 N 0.66 1.25 0.08 0.00 2.04 -0.69 0.28 117.51 121.13 1xbu h ILE 272 Ca 0.13 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1xbu h ILE 272 Cb 0.52 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1xbu h ILE 272 CO 0.03 0.32 -0.04 -0.50 0.00 0.00 0.00 178.15 177.96 1xbu h TRP 273 N 1.05 -0.10 -0.63 1.37 6.55 -1.07 -2.68 115.95 120.44 1xbu h TRP 273 Ca 0.24 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.05 1xbu h TRP 273 Cb 0.22 0.03 -0.03 0.00 -0.86 0.00 0.00 29.16 28.52 1xbu h TRP 273 CO 0.02 0.14 0.30 1.15 -1.05 0.00 0.00 178.44 178.99 1xbu h THR 274 N -0.32 1.22 -0.00 1.49 2.02 -0.93 -2.71 112.91 113.68 1xbu h THR 274 Ca -0.01 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1xbu h THR 274 Cb 0.27 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1xbu h THR 274 CO 0.02 0.26 -0.08 0.18 0.37 0.00 0.00 175.52 176.26 1xbu n LEU 275 N -4.49 0.10 -0.89 2.58 4.77 0.07 -3.51 117.00 115.63 1xbu n LEU 275 Ca 0.04 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1xbu n LEU 275 Cb 0.13 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1xbu n LEU 275 CO 0.38 0.02 0.60 -1.54 -1.33 0.00 0.00 177.39 175.53 1xbu n SER 276 N -1.45 2.85 -0.79 -1.43 3.41 -1.01 -4.93 113.62 110.27 1xbu n SER 276 Ca 0.08 -1.92 0.13 0.00 -0.26 0.00 0.00 58.87 56.90 1xbu n SER 276 Cb 0.33 -0.01 0.25 0.00 -0.26 0.00 0.00 64.21 64.51 1xbu n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68