#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbu h TYR 2 N 0.00 0.71 -0.36 4.31 -0.00 -1.89 -0.70 116.97 119.04 2bbu h TYR 2 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 58.73 58.66 2bbu h TYR 2 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 36.49 2bbu h TYR 2 CO 0.00 0.35 -0.14 0.37 -0.00 0.00 0.00 178.16 178.75 2bbu h GLN 3 N 0.68 0.73 -0.14 0.10 -0.00 -1.94 -1.34 115.11 113.20 2bbu h GLN 3 Ca 0.33 -0.30 -0.03 0.00 -0.00 0.00 0.00 58.65 58.65 2bbu h GLN 3 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 2bbu h GLN 3 CO -0.12 0.91 -0.02 -0.07 0.00 0.00 0.00 178.83 179.53 2bbu h LEU 4 N 0.52 0.27 -1.05 -2.39 3.38 -1.70 -2.69 115.31 111.65 2bbu h LEU 4 Ca 0.09 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2bbu h LEU 4 Cb 0.66 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2bbu h LEU 4 CO 0.05 0.56 0.44 -0.37 0.09 0.00 0.00 178.44 179.20 2bbu h VAL 5 N -0.03 1.23 0.04 1.22 -1.51 -1.17 -1.87 116.25 114.16 2bbu h VAL 5 Ca 0.04 -0.57 0.01 0.00 -1.23 0.00 0.00 66.70 64.94 2bbu h VAL 5 Cb 0.43 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 2bbu h VAL 5 CO 0.01 0.26 -0.07 0.58 -1.23 0.00 0.00 177.57 177.12 2bbu h VAL 6 N 1.11 0.83 -0.47 7.19 2.07 -1.13 0.36 116.25 126.21 2bbu h VAL 6 Ca 0.28 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.81 2bbu h VAL 6 Cb 0.02 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2bbu h VAL 6 CO -0.05 0.00 0.30 -1.13 0.02 0.00 0.00 177.57 176.71 2bbu h ASN 7 N -0.14 0.50 -0.53 0.57 -0.73 -1.20 -1.30 115.58 112.74 2bbu h ASN 7 Ca 0.01 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2bbu h ASN 7 Cb 0.15 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 2bbu h ASN 7 CO -0.04 0.36 0.28 0.00 -0.37 0.00 0.00 177.43 177.65 2bbu h ALA 8 N 1.19 0.68 -1.00 1.57 0.00 -0.98 -2.24 119.26 118.48 2bbu h ALA 8 Ca 0.18 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2bbu h ALA 8 Cb -0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 2bbu h ALA 8 CO -0.06 0.22 0.65 0.28 0.00 0.00 0.00 179.25 180.33 2bbu h VAL 9 N 0.71 1.09 -0.94 0.00 2.07 0.19 0.15 116.25 119.52 2bbu h VAL 9 Ca 0.18 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2bbu h VAL 9 Cb 0.08 -0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 29.59 2bbu h VAL 9 CO -0.03 0.21 0.58 -0.09 0.02 0.00 0.00 177.57 178.27 2bbu h ARG 10 N 1.17 0.94 0.05 1.57 1.12 -0.63 1.49 114.38 120.10 2bbu h ARG 10 Ca 0.43 -0.06 -0.25 0.00 -1.11 0.00 0.00 59.98 58.99 2bbu h ARG 10 Cb 0.15 -0.21 0.02 0.00 -0.01 0.00 0.00 29.97 29.92 2bbu h ARG 10 CO -0.17 0.62 -1.02 0.87 -3.11 0.00 0.00 179.97 177.17 2bbu h LYS 11 N 0.97 0.61 -0.15 0.20 1.79 -1.06 -2.87 116.57 116.05 2bbu h LYS 11 Ca 0.44 -0.72 -0.12 0.00 -2.18 0.00 0.00 60.65 58.07 2bbu h LYS 11 Cb 0.36 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2bbu h LYS 11 CO -0.23 1.30 -0.38 1.25 -1.08 0.00 0.00 179.45 180.31 2bbu h LEU 12 N 0.23 0.59 -1.64 2.94 5.85 -0.37 -3.13 115.31 119.76 2bbu h LEU 12 Ca -0.14 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.00 2bbu h LEU 12 Cb 1.70 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 2bbu h LEU 12 CO 0.20 1.07 0.23 1.56 -0.34 0.00 0.00 178.44 181.15 2bbu h GLN 13 N 0.14 0.46 -0.19 1.25 4.20 0.20 -1.21 115.11 119.97 2bbu h GLN 13 Ca -0.01 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.73 2bbu h GLN 13 Cb 1.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2bbu h GLN 13 CO 0.08 0.31 0.16 1.49 -0.67 0.00 0.00 178.83 180.21 2bbu h GLU 14 N 0.48 0.00 -0.66 1.46 4.57 -1.45 -1.44 114.58 117.54 2bbu h GLU 14 Ca 0.13 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2bbu h GLU 14 Cb -0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2bbu h GLU 14 CO -0.03 0.00 0.41 0.66 -1.18 0.00 0.00 179.01 178.87 2bbu h SER 15 N 0.00 0.79 0.00 1.04 4.64 -1.31 -3.47 113.55 115.25 2bbu h SER 15 Ca 0.09 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2bbu h SER 15 Cb 0.41 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2bbu h SER 15 CO -0.00 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2bbu n GLY 16 N -1.18 1.70 0.00 -0.77 0.00 -0.54 -4.98 105.19 99.43 2bbu n GLY 16 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2bbu n GLY 16 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bbu n PHE 17 N -1.28 0.00 -3.71 1.61 1.16 -1.26 -4.55 117.46 109.43 2bbu n PHE 17 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 2bbu n PHE 17 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2bbu s TYR 18 N -0.19 3.17 0.08 2.97 5.04 -1.26 -4.71 117.35 122.44 2bbu s TYR 18 Ca 0.00 -0.80 0.07 0.00 -2.44 0.00 0.00 57.07 53.90 2bbu s TYR 18 Cb 0.00 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 2bbu s TYR 18 CO 0.00 -0.53 -0.19 1.67 -1.34 0.00 0.00 175.55 175.16 2bbu s TRP 19 N 1.55 1.64 -0.30 4.97 1.48 -1.26 -4.83 118.94 122.20 2bbu s TRP 19 Ca 0.03 -0.41 0.01 0.00 -1.06 0.00 0.00 56.10 54.68 2bbu s TRP 19 Cb -0.17 -0.93 0.07 0.00 -1.16 0.00 0.00 33.47 31.28 2bbu s TRP 19 CO 0.04 0.13 -0.03 -1.12 -4.06 0.00 0.00 176.95 171.92 2bbu s SER 20 N -1.61 4.69 0.00 -2.66 0.01 -1.26 -4.57 113.70 108.29 2bbu s SER 20 Ca 0.05 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2bbu s SER 20 Cb -0.09 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2bbu s SER 20 CO 0.03 -0.27 0.06 0.00 0.41 0.00 0.00 173.24 173.47 2bbu n ALA 21 N 4.46 1.02 -3.00 1.44 0.00 -1.26 -4.98 120.51 118.19 2bbu n ALA 21 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2bbu n ALA 21 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2bbu n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bbu n VAL 22 N 0.00 0.00 -2.66 0.00 0.24 -1.26 -5.09 118.33 109.56 2bbu n VAL 22 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2bbu n VAL 22 Cb 0.50 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.95 2bbu n VAL 22 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2bbu s THR 23 N 1.08 2.31 0.00 3.34 2.01 -1.26 -4.79 115.64 118.33 2bbu s THR 23 Ca 0.00 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2bbu s THR 23 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.87 2bbu s THR 23 CO 0.00 0.00 0.40 0.61 -0.69 0.00 0.00 174.62 174.94 2bbu n GLY 24 N -2.60 -2.92 0.08 4.40 0.00 -1.26 -1.12 105.19 101.77 2bbu n GLY 24 Ca 0.13 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 2bbu n GLY 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bbu h GLY 25 N 0.00 0.10 1.88 -0.02 0.00 -1.96 -3.20 103.07 99.88 2bbu h GLY 25 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2bbu h GLY 25 CO 0.00 0.22 0.05 -2.09 0.00 0.00 0.00 176.54 174.71 2bbu h GLU 26 N 0.03 0.00 -0.06 4.80 4.81 -1.96 -1.38 114.58 120.82 2bbu h GLU 26 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2bbu h GLU 26 Cb 1.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.15 2bbu h GLU 26 CO 0.15 0.00 -0.05 0.00 -0.73 0.00 0.00 179.01 178.38 2bbu h ALA 27 N 1.94 0.09 -0.12 2.92 0.00 -1.11 -2.38 119.26 120.59 2bbu h ALA 27 Ca 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2bbu h ALA 27 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bbu h ALA 27 CO -0.00 -0.14 -0.08 -0.91 0.00 0.00 0.00 179.25 178.13 2bbu h ASN 28 N -0.28 0.28 -0.25 0.00 2.35 -1.51 -3.15 115.58 113.02 2bbu h ASN 28 Ca 0.01 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.35 2bbu h ASN 28 Cb 0.52 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2bbu h ASN 28 CO 0.01 0.66 0.17 -0.07 -1.65 0.00 0.00 177.43 176.55 2bbu h LEU 29 N -0.09 0.22 -0.52 1.61 4.07 -1.35 -2.13 115.31 117.11 2bbu h LEU 29 Ca 0.03 -0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.04 2bbu h LEU 29 Cb 0.56 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.19 2bbu h LEU 29 CO 0.02 0.15 0.22 0.25 -1.08 0.00 0.00 178.44 178.00 2bbu h LEU 30 N 0.25 0.27 -0.37 1.67 5.85 -1.38 2.17 115.31 123.77 2bbu h LEU 30 Ca 0.10 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 2bbu h LEU 30 Cb 0.10 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2bbu h LEU 30 CO -0.02 0.18 -0.71 0.25 -0.34 0.00 0.00 178.44 177.80 2bbu h LEU 31 N 0.42 0.60 -0.85 2.25 6.46 -1.56 -1.83 115.31 120.81 2bbu h LEU 31 Ca 0.25 -0.38 -0.12 0.00 -0.12 0.00 0.00 57.88 57.51 2bbu h LEU 31 Cb 0.23 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2bbu h LEU 31 CO -0.22 1.13 -0.46 0.28 -0.62 0.00 0.00 178.44 178.54 2bbu h SER 32 N 0.35 0.28 1.85 1.25 0.02 -0.59 0.97 113.55 117.68 2bbu h SER 32 Ca -0.03 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2bbu h SER 32 Cb 1.29 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2bbu h SER 32 CO 0.13 0.70 -0.15 0.00 -1.14 0.00 0.00 176.83 176.37 2bbu h ALA 33 N 1.31 0.91 -2.13 3.77 0.00 0.36 -3.37 119.26 120.12 2bbu h ALA 33 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bbu h ALA 33 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2bbu h ALA 33 CO 0.07 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.83 2bbu n GLU 34 N -3.10 0.00 -0.98 0.00 1.02 -0.70 -4.78 120.64 112.11 2bbu n GLU 34 Ca 0.03 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 2bbu n GLU 34 Cb 0.57 -0.05 -0.03 0.00 -0.02 0.00 0.00 31.44 31.91 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bbu n PRO 35 N -1.56 2.03 -1.57 3.49 -0.04 0.32 -4.93 135.00 132.74 2bbu n PRO 35 Ca 0.00 -1.71 -0.44 0.00 -0.04 0.00 0.00 63.50 61.31 2bbu n PRO 35 Cb 0.00 -2.69 -0.01 0.00 -0.04 0.00 0.00 33.50 30.77 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 36 N 5.41 -0.34 -0.47 0.55 0.00 -1.20 -2.29 120.51 122.17 2bbu n ALA 36 Ca 0.49 0.33 0.00 0.00 0.00 0.00 0.00 53.44 54.26 2bbu n ALA 36 Cb 0.25 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2bbu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bbu n GLY 37 N 1.29 0.73 3.05 0.00 0.00 -1.23 -5.02 105.19 104.02 2bbu n GLY 37 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 2bbu n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 38 N -2.00 0.60 0.01 2.61 2.01 -0.97 -4.46 115.64 113.45 2bbu s THR 38 Ca 0.00 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.19 2bbu s THR 38 Cb 0.00 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 2bbu s THR 38 CO 0.00 -0.22 -0.23 0.72 -0.69 0.00 0.00 174.62 174.21 2bbu s PHE 39 N -1.03 2.01 0.08 4.92 -0.71 -1.16 -3.84 117.98 118.26 2bbu s PHE 39 Ca -0.06 -0.38 0.05 0.00 -1.04 0.00 0.00 56.93 55.50 2bbu s PHE 39 Cb -0.08 -1.25 -0.03 0.00 -1.21 0.00 0.00 43.02 40.45 2bbu s PHE 39 CO 0.00 0.03 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.62 2bbu s LEU 40 N -0.85 2.32 -0.14 -1.99 0.20 -1.08 -3.93 118.68 113.21 2bbu s LEU 40 Ca 0.09 -0.67 -0.00 0.00 0.69 0.00 0.00 54.13 54.24 2bbu s LEU 40 Cb -0.09 -0.46 -0.01 0.00 -0.43 0.00 0.00 46.19 45.20 2bbu s LEU 40 CO 0.00 -0.13 -0.13 -0.51 -0.29 0.00 0.00 176.35 175.29 2bbu s ILE 41 N -1.60 2.93 -0.03 6.68 2.07 -1.26 -1.81 121.20 128.19 2bbu s ILE 41 Ca 0.00 -0.69 0.07 0.00 -1.41 0.00 0.00 60.65 58.62 2bbu s ILE 41 Cb -0.08 -2.24 -0.02 0.00 0.13 0.00 0.00 42.46 40.25 2bbu s ILE 41 CO 0.02 0.52 -0.25 -0.60 -1.91 0.00 0.00 174.94 172.71 2bbu s ARG 42 N 0.55 2.18 0.24 3.50 6.06 0.41 -4.13 118.95 127.76 2bbu s ARG 42 Ca -0.09 -0.91 -0.30 0.00 -2.50 0.00 0.00 55.73 51.94 2bbu s ARG 42 Cb -0.16 -2.08 -0.09 0.00 0.06 0.00 0.00 34.95 32.69 2bbu s ARG 42 CO 0.04 0.55 1.13 0.34 -2.50 0.00 0.00 175.30 174.85 2bbu s ASP 43 N -0.58 7.21 0.00 -2.12 -1.08 -1.26 -1.28 116.67 117.56 2bbu s ASP 43 Ca 0.09 2.24 0.00 0.00 -0.52 0.00 0.00 52.55 54.36 2bbu s ASP 43 Cb -0.10 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2bbu s ASP 43 CO -0.00 -0.23 0.88 -1.20 0.52 0.00 0.00 175.17 175.15 2bbu n SER 44 N 1.70 0.00 0.00 -0.34 7.64 0.77 -4.63 113.62 118.76 2bbu n SER 44 Ca 0.01 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2bbu n SER 44 Cb 0.45 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2bbu n SER 44 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2bbu n SER 45 N -2.78 0.00 -2.08 6.43 3.41 -1.26 -4.46 113.62 112.89 2bbu n SER 45 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2bbu n SER 45 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2bbu n SER 45 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bbu n ASP 46 N -2.06 2.01 0.00 4.04 8.00 -1.26 -4.98 116.55 122.30 2bbu n ASP 46 Ca 0.00 -1.06 0.05 0.00 0.71 0.00 0.00 54.79 54.49 2bbu n ASP 46 Cb 0.00 0.01 0.25 0.00 -0.02 0.00 0.00 41.12 41.36 2bbu n ASP 46 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2bbu n GLN 47 N -0.05 0.10 -0.86 -1.24 -0.06 -1.26 -2.21 117.38 111.79 2bbu n GLN 47 Ca -0.01 0.24 -0.10 0.00 -2.00 0.00 0.00 57.00 55.13 2bbu n GLN 47 Cb 0.02 -1.50 0.20 0.00 -4.06 0.00 0.00 30.24 24.90 2bbu n GLN 47 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2bbu n ARG 48 N -1.37 2.72 -4.37 3.69 0.63 -1.26 -4.59 116.66 112.11 2bbu n ARG 48 Ca 0.04 -2.38 -0.21 0.00 -0.92 0.00 0.00 57.85 54.38 2bbu n ARG 48 Cb 0.10 -1.98 -0.08 0.00 0.45 0.00 0.00 32.46 30.94 2bbu n ARG 48 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2bbu s HIS 49 N -2.49 1.70 0.79 -0.14 3.76 -0.94 -4.63 115.29 113.35 2bbu s HIS 49 Ca 0.44 -1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 53.76 2bbu s HIS 49 Cb 0.35 -0.88 0.07 0.00 1.11 0.00 0.00 32.58 33.23 2bbu s HIS 49 CO 0.10 -0.60 1.16 -0.59 -0.85 0.00 0.00 174.74 173.95 2bbu s PHE 50 N -3.44 3.02 -0.02 1.40 -0.12 -1.26 -4.54 117.98 113.02 2bbu s PHE 50 Ca 0.34 0.83 0.07 0.00 -0.05 0.00 0.00 56.93 58.12 2bbu s PHE 50 Cb 0.03 -3.38 -0.02 0.00 -0.63 0.00 0.00 43.02 39.02 2bbu s PHE 50 CO 0.21 -1.66 -0.22 -0.59 -0.05 0.00 0.00 175.22 172.91 2bbu s PHE 51 N -3.51 1.98 0.13 3.49 -0.12 -1.26 -0.16 117.98 118.53 2bbu s PHE 51 Ca 0.61 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 57.15 2bbu s PHE 51 Cb -0.11 -1.28 -0.04 0.00 -0.63 0.00 0.00 43.02 40.96 2bbu s PHE 51 CO 0.50 -0.06 -0.15 -0.08 -0.05 0.00 0.00 175.22 175.38 2bbu s THR 52 N -0.44 1.45 0.03 -4.49 -1.32 -0.40 -4.11 115.64 106.35 2bbu s THR 52 Ca 0.07 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 2bbu s THR 52 Cb -0.09 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 2bbu s THR 52 CO -0.00 -0.37 -0.04 -1.48 -2.21 0.00 0.00 174.62 170.52 2bbu s LEU 53 N -2.46 2.28 0.04 9.08 0.05 -1.24 0.15 118.68 126.57 2bbu s LEU 53 Ca 0.10 -0.57 0.00 0.00 0.05 0.00 0.00 54.13 53.71 2bbu s LEU 53 Cb -0.05 0.08 -0.03 0.00 -2.05 0.00 0.00 46.19 44.14 2bbu s LEU 53 CO 0.04 -0.33 -0.04 -0.94 -0.55 0.00 0.00 176.35 174.53 2bbu s SER 54 N -1.68 0.45 0.36 1.48 1.04 -0.75 -3.25 113.70 111.35 2bbu s SER 54 Ca -0.12 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.64 2bbu s SER 54 Cb -0.08 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 2bbu s SER 54 CO -0.02 -0.40 0.09 0.54 0.98 0.00 0.00 173.24 174.43 2bbu s VAL 55 N -2.39 0.91 -0.04 5.02 0.11 -1.24 -2.65 120.40 120.13 2bbu s VAL 55 Ca -0.06 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.04 2bbu s VAL 55 Cb -0.03 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 2bbu s VAL 55 CO -0.04 0.00 -0.20 -0.75 -3.33 0.00 0.00 175.10 170.78 2bbu s LYS 56 N -3.83 2.39 0.06 1.54 2.20 -1.25 -3.23 119.74 117.63 2bbu s LYS 56 Ca 0.30 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2bbu s LYS 56 Cb 0.06 -2.24 -0.00 0.00 -1.51 0.00 0.00 37.83 34.14 2bbu s LYS 56 CO 0.15 0.56 0.08 0.25 -0.36 0.00 0.00 175.35 176.02 2bbu n THR 57 N 2.47 0.00 -1.35 3.43 -2.24 -1.26 -3.55 114.28 111.78 2bbu n THR 57 Ca -0.17 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 60.87 2bbu n THR 57 Cb 0.52 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 2bbu n THR 57 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2bbu n GLN 58 N -0.11 3.32 0.00 -0.78 7.27 -1.26 -3.35 117.38 122.48 2bbu n GLN 58 Ca 0.00 -2.21 0.00 0.00 0.07 0.00 0.00 57.00 54.86 2bbu n GLN 58 Cb 0.11 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 29.88 2bbu n GLN 58 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2bbu n SER 59 N 4.28 0.00 0.00 1.69 3.41 -1.26 -5.15 113.62 116.60 2bbu n SER 59 Ca 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2bbu n SER 59 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bbu n GLY 60 N -0.29 4.41 3.69 5.00 0.00 -1.21 -5.09 105.19 111.69 2bbu n GLY 60 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bbu s THR 61 N -0.55 4.68 0.01 2.61 -1.32 -1.26 -4.42 115.64 115.39 2bbu s THR 61 Ca 0.00 1.96 0.07 0.00 -1.21 0.00 0.00 61.69 62.51 2bbu s THR 61 Cb 0.00 -4.26 -0.02 0.00 -1.51 0.00 0.00 72.50 66.71 2bbu s THR 61 CO 0.00 0.01 -0.21 -0.54 -2.21 0.00 0.00 174.62 171.66 2bbu s LYS 62 N 2.03 1.61 -0.05 7.08 -0.14 -1.20 -4.94 119.74 124.13 2bbu s LYS 62 Ca 0.50 -0.84 0.05 0.00 -1.36 0.00 0.00 55.97 54.32 2bbu s LYS 62 Cb -0.20 -1.63 -0.02 0.00 -1.68 0.00 0.00 37.83 34.31 2bbu s LYS 62 CO 0.19 0.43 -0.19 0.54 -0.76 0.00 0.00 175.35 175.56 2bbu s ASN 63 N -0.78 3.60 -0.05 2.83 2.20 -1.26 -3.60 114.94 117.88 2bbu s ASN 63 Ca 0.08 -0.33 0.02 0.00 -0.94 0.00 0.00 52.86 51.69 2bbu s ASN 63 Cb -0.08 -0.72 0.02 0.00 -2.00 0.00 0.00 41.25 38.46 2bbu s ASN 63 CO 0.00 0.32 -0.08 -0.76 -2.94 0.00 0.00 177.10 173.64 2bbu s LEU 64 N -0.56 1.53 0.26 3.54 1.43 -1.20 -4.98 118.68 118.69 2bbu s LEU 64 Ca 0.08 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2bbu s LEU 64 Cb -0.11 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 2bbu s LEU 64 CO 0.01 -0.00 0.44 -0.13 0.23 0.00 0.00 176.35 176.90 2bbu s ARG 65 N 0.69 3.50 -0.15 1.70 3.00 -1.26 -3.71 118.95 122.72 2bbu s ARG 65 Ca -0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 55.73 55.16 2bbu s ARG 65 Cb -0.14 -2.78 -0.04 0.00 0.00 0.00 0.00 34.95 31.99 2bbu s ARG 65 CO 0.01 0.32 0.12 0.42 0.00 0.00 0.00 175.30 176.18 2bbu s ILE 66 N -2.04 5.37 0.14 1.52 1.09 -1.26 -1.23 121.20 124.80 2bbu s ILE 66 Ca 0.39 0.16 0.11 0.00 -1.10 0.00 0.00 60.65 60.21 2bbu s ILE 66 Cb -0.10 -3.38 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 2bbu s ILE 66 CO 0.31 0.55 -0.26 -1.10 -0.10 0.00 0.00 174.94 174.34 2bbu s GLN 67 N -0.51 1.44 -0.08 2.79 -0.21 0.44 -4.77 119.66 118.75 2bbu s GLN 67 Ca 0.12 -1.39 -0.22 0.00 0.02 0.00 0.00 55.36 53.89 2bbu s GLN 67 Cb -0.12 -1.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 2bbu s GLN 67 CO 0.02 0.44 0.64 0.00 -2.12 0.00 0.00 175.29 174.27 2bbu s GLU 69 N 0.70 3.14 0.00 0.00 2.12 0.19 -3.33 118.70 121.53 2bbu s GLU 69 Ca 0.34 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.89 2bbu s GLU 69 Cb -0.17 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.63 2bbu s GLU 69 CO 0.16 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 2bbu n GLY 70 N 4.17 0.55 0.55 -1.50 0.00 -1.26 -1.53 105.19 106.17 2bbu n GLY 70 Ca -0.19 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2bbu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 71 N 0.00 0.92 3.24 -0.02 0.00 -1.26 -4.78 105.19 103.30 2bbu n GLY 71 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2bbu n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bbu s SER 72 N -0.16 1.36 -0.14 1.61 1.04 -0.58 -4.00 113.70 112.82 2bbu s SER 72 Ca 0.00 -1.14 -0.02 0.00 0.48 0.00 0.00 55.95 55.27 2bbu s SER 72 Cb 0.00 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 2bbu s SER 72 CO -0.00 -0.52 -0.07 0.12 0.98 0.00 0.00 173.24 173.76 2bbu s PHE 73 N -3.58 2.96 0.18 5.02 5.36 -1.23 0.56 117.98 127.26 2bbu s PHE 73 Ca 0.22 -0.37 -0.07 0.00 -0.96 0.00 0.00 56.93 55.75 2bbu s PHE 73 Cb 0.05 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 2bbu s PHE 73 CO 0.03 -0.06 0.25 -1.54 -1.46 0.00 0.00 175.22 172.44 2bbu s SER 74 N 0.27 0.08 -0.13 6.13 1.04 -0.57 -3.95 113.70 116.58 2bbu s SER 74 Ca -0.05 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 2bbu s SER 74 Cb -0.14 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 2bbu s SER 74 CO 0.04 -0.90 1.70 -0.76 0.98 0.00 0.00 173.24 174.30 2bbu s LEU 75 N -3.03 4.08 0.20 2.42 1.43 -1.26 -0.42 118.68 122.10 2bbu s LEU 75 Ca 0.24 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2bbu s LEU 75 Cb 0.04 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2bbu s LEU 75 CO 0.04 -1.15 0.00 1.67 0.23 0.00 0.00 176.35 177.14 2bbu n GLN 76 N 7.50 -4.53 -0.86 1.70 0.00 -0.37 -4.79 117.38 116.04 2bbu n GLN 76 Ca 0.19 3.29 0.00 0.00 -0.00 0.00 0.00 57.00 60.48 2bbu n GLN 76 Cb 0.44 -3.47 0.00 0.00 0.00 0.00 0.00 30.24 27.21 2bbu n GLN 76 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2bbu n SER 77 N 1.31 0.00 -4.23 1.69 3.41 -1.26 -4.63 113.62 109.90 2bbu n SER 77 Ca 0.00 -0.47 -0.36 0.00 -0.26 0.00 0.00 58.87 57.78 2bbu n SER 77 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2bbu n SER 77 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2bbu s ASP 78 N 0.59 4.91 -0.43 4.04 1.01 -1.26 -4.80 116.67 120.74 2bbu s ASP 78 Ca 0.00 -1.05 -0.05 0.00 0.71 0.00 0.00 52.55 52.16 2bbu s ASP 78 Cb 0.00 -1.77 -0.14 0.00 1.01 0.00 0.00 42.92 42.02 2bbu s ASP 78 CO 0.00 -0.23 2.50 -0.81 0.21 0.00 0.00 175.17 176.84 2bbu n PRO 79 N 4.72 1.80 -0.38 8.23 -0.04 -1.21 -4.08 135.00 144.04 2bbu n PRO 79 Ca -0.14 -1.05 0.04 0.00 -0.04 0.00 0.00 63.50 62.31 2bbu n PRO 79 Cb 0.45 -2.11 0.19 0.00 -0.04 0.00 0.00 33.50 32.00 2bbu n PRO 79 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2bbu n ARG 80 N 3.20 2.65 -0.04 0.54 0.00 -1.26 -4.26 116.66 117.49 2bbu n ARG 80 Ca 0.38 -1.52 -0.07 0.00 -0.00 0.00 0.00 57.85 56.64 2bbu n ARG 80 Cb 0.44 -1.71 -0.02 0.00 0.00 0.00 0.00 32.46 31.16 2bbu n ARG 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bbu n SER 81 N 0.40 1.54 -3.13 6.15 2.88 -1.26 -4.93 113.62 115.27 2bbu n SER 81 Ca 0.14 0.24 -0.15 0.00 -1.33 0.00 0.00 58.87 57.77 2bbu n SER 81 Cb 0.61 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2bbu n SER 81 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2bbu n THR 82 N -4.02 -0.16 -4.00 2.46 -2.24 -1.26 -4.80 114.28 100.27 2bbu n THR 82 Ca -0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2bbu n THR 82 Cb 0.37 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 2bbu n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bbu n GLN 83 N -3.07 0.74 -2.33 -0.78 6.02 -1.26 -4.56 117.38 112.14 2bbu n GLN 83 Ca 0.02 -2.62 -0.42 0.00 -0.01 0.00 0.00 57.00 53.97 2bbu n GLN 83 Cb 0.50 2.61 -0.03 0.00 1.02 0.00 0.00 30.24 34.35 2bbu n GLN 83 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2bbu s PRO 84 N -2.66 4.33 0.32 -1.09 0.04 -1.26 -4.46 135.00 130.21 2bbu s PRO 84 Ca 0.26 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.18 2bbu s PRO 84 Cb -0.02 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 2bbu s PRO 84 CO 0.19 -0.49 0.15 1.33 0.04 0.00 0.00 177.00 178.22 2bbu n VAL 85 N 4.53 0.00 -1.80 -0.36 0.24 -1.26 -5.08 118.33 114.60 2bbu n VAL 85 Ca 0.12 -1.97 -0.34 0.00 -2.04 0.00 0.00 64.34 60.11 2bbu n VAL 85 Cb 0.45 0.78 0.05 0.00 -1.47 0.00 0.00 33.84 33.64 2bbu n VAL 85 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2bbu s PRO 86 N -3.24 2.75 7.79 7.34 0.04 -1.26 -4.56 135.00 143.86 2bbu s PRO 86 Ca 0.21 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2bbu s PRO 86 Cb 0.01 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2bbu s PRO 86 CO 0.15 -1.32 0.00 0.54 0.04 0.00 0.00 177.00 176.41 2bbu n ARG 87 N -2.19 0.00 0.00 4.56 1.74 -1.26 -4.55 116.66 114.96 2bbu n ARG 87 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2bbu n ARG 87 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2bbu n PHE 88 N 12.05 0.00 -2.26 -1.55 1.16 -1.26 -5.07 117.46 120.53 2bbu n PHE 88 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 2bbu n PHE 88 Cb 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.85 2bbu n PHE 88 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2bbu s ASP 89 N -4.00 6.24 0.00 5.98 -4.77 -1.26 -3.48 116.67 115.37 2bbu s ASP 89 Ca 0.00 0.96 0.14 0.00 -3.30 0.00 0.00 52.55 50.35 2bbu s ASP 89 Cb 0.00 -2.54 0.58 0.00 -1.09 0.00 0.00 42.92 39.87 2bbu s ASP 89 CO 0.00 -1.49 1.41 0.00 0.70 0.00 0.00 175.17 175.79 2bbu h VAL 91 N 1.31 0.34 -0.42 0.00 2.07 -1.89 0.11 116.25 117.77 2bbu h VAL 91 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2bbu h VAL 91 Cb 0.29 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2bbu h VAL 91 CO 0.00 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.72 2bbu h LEU 92 N 0.00 0.28 -0.65 2.57 4.07 -1.96 1.14 115.31 120.76 2bbu h LEU 92 Ca 0.31 0.03 -0.11 0.00 0.08 0.00 0.00 57.88 58.18 2bbu h LEU 92 Cb 1.59 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.29 2bbu h LEU 92 CO -0.00 0.20 -0.18 0.11 -1.08 0.00 0.00 178.44 177.49 2bbu h LYS 93 N 0.40 0.87 -0.24 1.13 1.57 -1.12 -2.75 116.57 116.43 2bbu h LYS 93 Ca 0.18 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2bbu h LYS 93 Cb 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2bbu h LYS 93 CO -0.14 0.98 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.34 2bbu h LEU 94 N 0.77 0.50 -1.23 2.94 3.38 -1.02 -2.90 115.31 117.74 2bbu h LEU 94 Ca 0.11 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.02 2bbu h LEU 94 Cb 0.71 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 2bbu h LEU 94 CO 0.05 0.79 0.58 0.58 0.09 0.00 0.00 178.44 180.53 2bbu h VAL 95 N 0.42 0.88 -0.85 1.22 2.07 0.16 0.14 116.25 120.29 2bbu h VAL 95 Ca 0.05 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 67.47 2bbu h VAL 95 Cb 0.75 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 2bbu h VAL 95 CO 0.06 0.14 0.56 0.45 0.02 0.00 0.00 177.57 178.80 2bbu h HIS 96 N 0.77 0.62 0.06 1.57 3.86 -1.51 0.93 115.15 121.46 2bbu h HIS 96 Ca 0.44 0.02 -0.24 0.00 -1.16 0.00 0.00 60.37 59.43 2bbu h HIS 96 Cb 0.61 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 2bbu h HIS 96 CO -0.00 0.21 -1.07 1.12 0.86 0.00 0.00 177.93 179.05 2bbu h HIS 97 N 0.51 0.43 0.00 2.45 -0.00 -0.90 -3.23 115.15 114.41 2bbu h HIS 97 Ca 0.43 -0.28 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2bbu h HIS 97 Cb 0.90 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2bbu h HIS 97 CO -0.00 1.16 -0.02 1.88 -0.00 0.00 0.00 177.93 180.94 2bbu h TYR 98 N 0.11 0.00 0.00 6.12 0.05 -0.11 -3.32 116.97 119.83 2bbu h TYR 98 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2bbu h TYR 98 Cb 1.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.50 2bbu h TYR 98 CO 0.05 0.02 0.00 -0.12 -1.05 0.00 0.00 178.16 177.06 2bbu n MET 99 N -3.38 0.00 -1.89 4.88 0.00 -1.00 -4.72 117.12 111.02 2bbu n MET 99 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.25 2bbu n MET 99 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.32 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2bbu s PRO 100 N 0.00 3.29 0.87 2.12 0.04 -1.23 -4.20 135.00 135.90 2bbu s PRO 100 Ca 0.00 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2bbu s PRO 100 Cb 0.00 -4.24 0.11 0.00 0.04 0.00 0.00 34.50 30.41 2bbu s PRO 100 CO 0.00 -1.91 1.14 -1.25 0.04 0.00 0.00 177.00 175.02 2bbu s PRO 101 N 5.82 1.46 0.00 0.56 0.04 -1.25 -3.95 135.00 137.68 2bbu s PRO 101 Ca 0.86 0.33 0.21 0.00 0.04 0.00 0.00 61.00 62.43 2bbu s PRO 101 Cb -0.26 -1.87 1.07 0.00 0.04 0.00 0.00 34.50 33.48 2bbu s PRO 101 CO 0.34 -1.98 1.67 -0.35 0.04 0.00 0.00 177.00 176.72 2bbu n PRO 102 N -3.63 0.31 0.00 0.56 -0.04 -1.26 -4.90 135.00 126.04 2bbu n PRO 102 Ca 0.07 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2bbu n PRO 102 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2bbu n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 103 N 0.49 4.28 0.08 0.55 0.00 -1.26 -5.12 105.19 104.22 2bbu n GLY 103 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2bbu n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bbu n THR 104 N -1.62 0.00 -1.47 2.61 -1.04 -1.26 -5.06 114.28 106.44 2bbu n THR 104 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2bbu n THR 104 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 2bbu n THR 104 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2bbu s PRO 105 N -2.00 2.56 0.00 -2.82 0.04 -1.26 -5.03 135.00 126.49 2bbu s PRO 105 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2bbu s PRO 105 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2bbu s PRO 105 CO 0.00 -1.41 0.00 0.45 0.04 0.00 0.00 177.00 176.08 2bbu n SER 106 N -3.11 0.00 -3.90 6.66 2.88 -1.26 -4.88 113.62 110.01 2bbu n SER 106 Ca 0.09 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.28 2bbu n SER 106 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 2bbu n SER 106 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2bbu n PHE 107 N 0.00 -1.75 -1.24 0.66 3.72 -1.26 -4.50 117.46 113.09 2bbu n PHE 107 Ca 0.00 0.45 0.16 0.00 -0.05 0.00 0.00 57.45 58.00 2bbu n PHE 107 Cb 0.00 -2.87 -0.05 0.00 -0.94 0.00 0.00 39.48 35.62 2bbu n PHE 107 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2bbu n SER 108 N -2.38 -7.08 -3.22 4.37 7.64 -1.26 -4.88 113.62 106.82 2bbu n SER 108 Ca -0.19 0.68 -0.15 0.00 1.01 0.00 0.00 58.87 60.22 2bbu n SER 108 Cb 0.62 -3.93 0.08 0.00 -1.01 0.00 0.00 64.21 59.97 2bbu n SER 108 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bbu n LEU 109 N -3.74 -4.17 -4.65 -3.43 4.77 -1.26 -4.90 117.00 99.61 2bbu n LEU 109 Ca -0.01 -0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 54.95 2bbu n LEU 109 Cb 0.65 -2.95 -0.02 0.00 -2.33 0.00 0.00 43.42 38.76 2bbu n LEU 109 CO 0.02 0.30 1.19 -2.16 -1.33 0.00 0.00 177.39 175.41 2bbu s PRO 110 N -5.07 4.10 0.00 3.23 0.04 -1.26 -4.88 135.00 131.16 2bbu s PRO 110 Ca 0.08 1.69 0.19 0.00 0.04 0.00 0.00 61.00 63.00 2bbu s PRO 110 Cb -0.01 -3.87 0.85 0.00 0.04 0.00 0.00 34.50 31.51 2bbu s PRO 110 CO 0.68 -0.90 1.61 -0.35 0.04 0.00 0.00 177.00 178.08 2bbu n PRO 111 N 7.00 0.05 -4.40 0.56 -0.04 -1.26 -4.77 135.00 132.14 2bbu n PRO 111 Ca 0.15 0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.52 2bbu n PRO 111 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 2bbu n PRO 111 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bbu s THR 112 N -2.92 2.33 0.00 0.52 -1.32 -1.26 -4.98 115.64 108.01 2bbu s THR 112 Ca 0.11 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 2bbu s THR 112 Cb 0.13 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 2bbu s THR 112 CO 0.34 -0.10 0.00 -0.62 -2.21 0.00 0.00 174.62 172.03 2bbu n GLU 113 N -1.00 0.00 0.00 7.08 1.02 -1.26 -4.93 120.64 121.56 2bbu n GLU 113 Ca -0.04 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.19 2bbu n GLU 113 Cb 0.64 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.47 2bbu n GLU 113 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bbu n PRO 114 N 0.00 0.00 -4.18 3.49 -0.04 -1.26 -4.78 135.00 128.24 2bbu n PRO 114 Ca 0.00 0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 2bbu n PRO 114 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2bbu n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu s SER 115 N -3.00 4.39 0.55 3.54 0.15 -1.26 -5.14 113.70 112.92 2bbu s SER 115 Ca 0.09 -1.14 0.03 0.00 0.70 0.00 0.00 55.95 55.64 2bbu s SER 115 Cb 0.12 -0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.11 2bbu s SER 115 CO 0.35 -0.59 0.76 -0.44 1.20 0.00 0.00 173.24 174.52 2bbu s SER 116 N -3.92 5.22 -0.18 5.45 0.01 -1.26 -4.98 113.70 114.04 2bbu s SER 116 Ca 0.38 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.44 2bbu s SER 116 Cb 0.04 -0.60 0.31 0.00 0.21 0.00 0.00 66.02 65.98 2bbu s SER 116 CO 0.21 -1.18 1.33 -1.84 0.41 0.00 0.00 173.24 172.18 2bbu n GLU 117 N -2.29 1.79 -0.11 12.44 0.28 -1.26 -4.51 120.64 126.98 2bbu n GLU 117 Ca 0.10 -1.34 -0.08 0.00 -0.16 0.00 0.00 57.16 55.68 2bbu n GLU 117 Cb 0.60 -1.58 -0.02 0.00 1.43 0.00 0.00 31.44 31.86 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2bbu h VAL 118 N 0.71 0.23 -4.14 3.84 2.07 -2.06 -3.40 116.25 113.49 2bbu h VAL 118 Ca 0.22 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.25 2bbu h VAL 118 Cb 1.69 0.23 0.07 0.00 -1.52 0.00 0.00 31.29 31.76 2bbu h VAL 118 CO 0.43 0.00 0.40 -2.16 0.02 0.00 0.00 177.57 176.26 2bbu s PRO 119 N -5.99 3.24 -0.28 1.57 0.04 -1.26 -5.03 135.00 127.29 2bbu s PRO 119 Ca -0.15 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2bbu s PRO 119 Cb 0.13 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.70 2bbu s PRO 119 CO 0.67 -0.90 -0.02 -1.83 0.04 0.00 0.00 177.00 174.96 2bbu s GLU 120 N -3.69 2.61 -0.03 4.56 -1.05 -1.26 -4.91 118.70 114.92 2bbu s GLU 120 Ca 0.68 -1.14 -0.03 0.00 -0.15 0.00 0.00 54.97 54.33 2bbu s GLU 120 Cb -0.20 -3.12 0.01 0.00 -0.44 0.00 0.00 34.13 30.38 2bbu s GLU 120 CO 0.32 -0.53 0.05 1.04 0.95 0.00 0.00 175.26 177.10 2bbu n GLN 121 N 4.65 -4.30 0.14 -4.83 6.02 -1.26 -4.74 117.38 113.06 2bbu n GLN 121 Ca -0.14 3.15 -0.00 0.00 -0.01 0.00 0.00 57.00 59.99 2bbu n GLN 121 Cb 0.45 -4.13 0.19 0.00 1.02 0.00 0.00 30.24 27.77 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bbu h PRO 122 N 4.28 0.00 -0.02 -1.09 0.13 -1.98 -3.15 132.00 130.17 2bbu h PRO 122 Ca -0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2bbu h PRO 122 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 2bbu h PRO 122 CO 0.00 0.59 -0.76 -1.00 -0.23 0.00 0.00 178.00 176.60 2bbu h PRO 123 N 0.00 0.16 -4.35 1.56 0.13 -1.92 -3.38 132.00 124.20 2bbu h PRO 123 Ca -0.01 -0.15 -0.75 0.00 -0.87 0.00 0.00 66.00 64.23 2bbu h PRO 123 Cb 1.06 0.04 -0.22 0.00 0.13 0.00 0.00 31.00 32.01 2bbu h PRO 123 CO 0.08 0.84 0.48 0.00 -0.23 0.00 0.00 178.00 179.17 2bbu s ALA 124 N -3.42 3.82 0.12 -0.56 0.00 -1.19 -4.70 121.76 115.83 2bbu s ALA 124 Ca -0.03 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 48.81 2bbu s ALA 124 Cb 0.11 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2bbu s ALA 124 CO 0.81 -2.59 0.00 0.94 0.00 0.00 0.00 175.76 174.92 2bbu n GLN 125 N 5.04 0.00 0.00 0.00 7.27 -1.26 -4.84 117.38 123.60 2bbu n GLN 125 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.27 2bbu n GLN 125 Cb 0.47 -0.30 0.00 0.00 2.41 0.00 0.00 30.24 32.82 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bbu n ALA 126 N -3.26 0.00 0.41 1.69 0.00 -1.26 -5.05 120.51 113.04 2bbu n ALA 126 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2bbu n ALA 126 Cb 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2bbu h LEU 127 N 0.00 -0.98 -9.42 0.00 4.07 -2.01 -3.41 115.31 103.56 2bbu h LEU 127 Ca 0.00 0.04 -0.54 0.00 0.08 0.00 0.00 57.88 57.46 2bbu h LEU 127 Cb 0.00 0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 2bbu h LEU 127 CO 0.00 -0.66 0.69 -2.16 -1.08 0.00 0.00 178.44 175.24 2bbu s PRO 128 N -6.01 4.35 0.00 1.13 0.04 -1.26 -4.91 135.00 128.34 2bbu s PRO 128 Ca -0.18 1.85 0.21 0.00 0.04 0.00 0.00 61.00 62.92 2bbu s PRO 128 Cb 0.03 -3.44 0.11 0.00 0.04 0.00 0.00 34.50 31.24 2bbu s PRO 128 CO 0.61 -0.42 1.13 0.41 0.04 0.00 0.00 177.00 178.78 2bbu n GLY 129 N 3.41 0.52 7.00 0.56 0.00 -1.26 -4.84 105.19 110.58 2bbu n GLY 129 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2bbu n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bbu n SER 130 N 0.82 -3.75 -3.40 1.61 7.64 -1.26 -4.93 113.62 110.34 2bbu n SER 130 Ca 0.11 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.68 2bbu n SER 130 Cb 0.50 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2bbu n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2bbu n THR 131 N -0.75 -4.55 -0.92 0.44 -2.24 -1.26 -4.66 114.28 100.34 2bbu n THR 131 Ca 0.00 0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.74 2bbu n THR 131 Cb 0.00 -3.91 -0.02 0.00 -2.10 0.00 0.00 70.33 64.29 2bbu n THR 131 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bbu n PRO 132 N -0.02 2.35 0.00 -0.78 -0.04 -1.26 -4.38 135.00 130.87 2bbu n PRO 132 Ca -0.06 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 2bbu n PRO 132 Cb 0.63 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2bbu n PRO 132 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bbu n LYS 133 N 4.45 0.00 -2.63 0.54 5.02 -1.26 -5.07 118.16 119.20 2bbu n LYS 133 Ca 0.51 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.43 2bbu n LYS 133 Cb 0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.15 2bbu n LYS 133 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2bbu s ARG 134 N 0.00 4.38 0.00 1.97 3.00 -1.26 -4.72 118.95 122.32 2bbu s ARG 134 Ca 0.00 1.47 0.00 0.00 -1.00 0.00 0.00 55.73 56.20 2bbu s ARG 134 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 34.95 32.24 2bbu s ARG 134 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 175.30 175.36 2bbu n ALA 135 N 0.30 0.00 -3.65 6.12 0.00 -1.26 -4.94 120.51 117.08 2bbu n ALA 135 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2bbu n ALA 135 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 2bbu n ALA 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bbu s TYR 136 N 0.00 2.90 0.23 0.00 5.04 -1.14 -4.90 117.35 119.47 2bbu s TYR 136 Ca 0.00 -1.12 -0.19 0.00 -2.44 0.00 0.00 57.07 53.32 2bbu s TYR 136 Cb 0.00 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.30 2bbu s TYR 136 CO 0.00 -0.60 0.60 1.52 -1.34 0.00 0.00 175.55 175.73 2bbu s TYR 137 N 1.35 -0.12 0.09 4.97 -0.85 -1.26 -1.98 117.35 119.55 2bbu s TYR 137 Ca 0.04 -0.25 0.10 0.00 -0.52 0.00 0.00 57.07 56.44 2bbu s TYR 137 Cb -0.14 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 2bbu s TYR 137 CO -0.05 -1.04 -0.25 0.42 -1.52 0.00 0.00 175.55 173.11 2bbu s ILE 138 N -3.90 2.33 -0.51 -3.49 1.09 -1.00 -4.89 121.20 110.83 2bbu s ILE 138 Ca 0.11 -1.54 -0.25 0.00 -1.10 0.00 0.00 60.65 57.86 2bbu s ILE 138 Cb -0.03 -1.98 0.03 0.00 -1.06 0.00 0.00 42.46 39.42 2bbu s ILE 138 CO 0.01 0.22 0.98 -0.31 -0.10 0.00 0.00 174.94 175.74 2bbu s TYR 139 N -0.96 2.82 -0.20 3.97 2.02 -1.26 -1.31 117.35 122.44 2bbu s TYR 139 Ca 0.14 0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.90 2bbu s TYR 139 Cb -0.10 -4.11 -0.03 0.00 -0.40 0.00 0.00 41.96 37.31 2bbu s TYR 139 CO 0.05 -1.28 0.48 0.45 -1.57 0.00 0.00 175.55 173.68 2bbu s SER 140 N 2.60 6.53 -1.12 2.29 0.15 1.06 -4.39 113.70 120.82 2bbu s SER 140 Ca 0.36 0.64 -0.25 0.00 0.70 0.00 0.00 55.95 57.40 2bbu s SER 140 Cb -0.11 -2.27 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2bbu s SER 140 CO 0.24 -0.14 0.72 0.61 1.20 0.00 0.00 173.24 175.87 2bbu n GLY 141 N 3.87 -0.97 2.38 9.45 0.00 -1.26 0.17 105.19 118.82 2bbu n GLY 141 Ca -0.06 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 2bbu n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 142 N -1.88 1.65 3.13 -0.02 0.00 -1.26 -4.93 105.19 101.88 2bbu n GLY 142 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2bbu n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbu s GLU 143 N -3.56 2.96 -0.60 1.61 2.56 0.46 -5.07 118.70 117.05 2bbu s GLU 143 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 54.97 53.86 2bbu s GLU 143 Cb 0.00 -2.50 0.03 0.00 2.00 0.00 0.00 34.13 33.66 2bbu s GLU 143 CO 0.00 -0.14 1.20 -1.59 -0.56 0.00 0.00 175.26 174.17 2bbu s LYS 144 N 1.14 3.48 -0.34 4.30 -2.85 -1.26 0.34 119.74 124.54 2bbu s LYS 144 Ca 0.01 0.19 -0.15 0.00 -1.00 0.00 0.00 55.97 55.02 2bbu s LYS 144 Cb -0.14 -4.03 -0.01 0.00 -2.06 0.00 0.00 37.83 31.59 2bbu s LYS 144 CO -0.09 -1.73 0.34 0.42 0.10 0.00 0.00 175.35 174.39 2bbu s ILE 145 N 5.04 5.19 0.06 3.79 1.09 -0.43 -4.93 121.20 131.01 2bbu s ILE 145 Ca 0.42 -0.02 -0.31 0.00 -1.10 0.00 0.00 60.65 59.64 2bbu s ILE 145 Cb -0.08 -3.81 -0.06 0.00 -1.06 0.00 0.00 42.46 37.45 2bbu s ILE 145 CO 0.24 -0.09 1.30 -2.16 -0.10 0.00 0.00 174.94 174.14 2bbu s PRO 146 N 1.96 4.36 -0.04 2.79 0.04 -1.26 -2.38 135.00 140.47 2bbu s PRO 146 Ca 0.11 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2bbu s PRO 146 Cb -0.17 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 2bbu s PRO 146 CO 0.11 -0.39 -0.17 -0.51 0.04 0.00 0.00 177.00 176.08 2bbu s LEU 147 N 1.41 1.94 -0.33 -3.56 1.02 -0.84 -4.95 118.68 113.38 2bbu s LEU 147 Ca 0.62 -0.34 -0.15 0.00 0.02 0.00 0.00 54.13 54.28 2bbu s LEU 147 Cb -0.32 -0.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 2bbu s LEU 147 CO 0.29 0.17 0.34 -0.69 0.02 0.00 0.00 176.35 176.47 2bbu s VAL 148 N -0.07 5.19 -0.18 -1.59 1.01 -1.25 -2.90 120.40 120.60 2bbu s VAL 148 Ca -0.01 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 2bbu s VAL 148 Cb -0.10 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2bbu s VAL 148 CO 0.01 -0.02 0.52 -0.22 0.00 0.00 0.00 175.10 175.40 2bbu s LEU 149 N 1.98 4.17 -0.32 3.92 0.20 -1.26 -4.91 118.68 122.46 2bbu s LEU 149 Ca 0.11 0.72 0.08 0.00 0.69 0.00 0.00 54.13 55.73 2bbu s LEU 149 Cb -0.16 -2.72 0.29 0.00 -0.43 0.00 0.00 46.19 43.16 2bbu s LEU 149 CO 0.11 -0.15 1.26 -1.54 -0.29 0.00 0.00 176.35 175.74 2bbu n SER 150 N 4.58 -1.42 -3.85 3.68 3.41 -1.26 -4.04 113.62 114.72 2bbu n SER 150 Ca -0.05 -2.07 -0.22 0.00 -0.26 0.00 0.00 58.87 56.27 2bbu n SER 150 Cb 0.51 0.81 -0.17 0.00 -0.26 0.00 0.00 64.21 65.10 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bbu s ARG 151 N 0.12 0.85 0.43 4.33 0.52 -1.26 -5.05 118.95 118.89 2bbu s ARG 151 Ca 0.12 -0.05 -0.22 0.00 -0.52 0.00 0.00 55.73 55.06 2bbu s ARG 151 Cb 0.30 -1.00 -0.09 0.00 0.52 0.00 0.00 34.95 34.68 2bbu s ARG 151 CO -0.08 -0.19 1.02 -1.25 0.02 0.00 0.00 175.30 174.82 2bbu s PRO 152 N 1.43 4.08 0.43 3.54 0.04 -1.26 -2.96 135.00 140.30 2bbu s PRO 152 Ca -0.03 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 2bbu s PRO 152 Cb -0.13 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2bbu s PRO 152 CO -0.03 -0.18 0.73 -0.48 0.04 0.00 0.00 177.00 177.08 2bbu s LEU 153 N -3.00 3.76 0.00 -3.56 0.05 -1.25 -4.74 118.68 109.94 2bbu s LEU 153 Ca 0.61 0.92 0.00 0.00 0.05 0.00 0.00 54.13 55.71 2bbu s LEU 153 Cb -0.17 -3.83 0.00 0.00 -2.05 0.00 0.00 46.19 40.14 2bbu s LEU 153 CO 0.21 -0.46 0.00 -0.24 -0.55 0.00 0.00 176.35 175.31 2bbu n SER 154 N -1.82 0.00 0.00 1.48 2.88 -1.26 -4.52 113.62 110.38 2bbu n SER 154 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bbu n SER 154 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2bbu n SER 154 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bbu n SER 155 N 0.11 0.00 0.00 -3.46 2.88 -1.26 -5.13 113.62 106.76 2bbu n SER 155 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bbu n SER 155 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bbu n SER 155 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61