#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 0.76 -0.64 -0.32 -0.00 -1.83 0.57 116.97 115.51 2bbu h TYR 2 Ca 0.00 0.02 0.14 0.00 -0.00 0.00 0.00 58.73 58.89 2bbu h TYR 2 Cb 0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 36.73 36.45 2bbu h TYR 2 CO 0.00 0.31 0.44 0.37 -0.00 0.00 0.00 178.16 179.28 2bbu h GLN 3 N 0.67 0.27 -0.28 0.10 4.15 -1.88 -1.38 115.11 116.76 2bbu h GLN 3 Ca 0.41 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.82 2bbu h GLN 3 Cb 0.64 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2bbu h GLN 3 CO -0.17 0.18 0.17 -0.07 -1.93 0.00 0.00 178.83 177.00 2bbu h LEU 4 N 0.27 0.28 -0.38 -2.39 3.38 -1.27 -2.22 115.31 112.98 2bbu h LEU 4 Ca 0.31 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 2bbu h LEU 4 Cb 0.84 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2bbu h LEU 4 CO -0.07 0.20 0.09 0.58 0.09 0.00 0.00 178.44 179.34 2bbu h VAL 5 N 0.34 1.23 -0.48 1.22 2.07 -1.35 -2.76 116.25 116.53 2bbu h VAL 5 Ca 0.11 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2bbu h VAL 5 Cb -0.02 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2bbu h VAL 5 CO -0.04 0.26 0.32 1.62 0.02 0.00 0.00 177.57 179.75 2bbu h VAL 6 N 0.46 0.98 -0.27 2.57 3.04 -1.26 0.11 116.25 121.88 2bbu h VAL 6 Ca 0.12 -0.15 -0.18 0.00 -1.01 0.00 0.00 66.70 65.48 2bbu h VAL 6 Cb 0.30 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 2bbu h VAL 6 CO 0.00 0.08 -0.55 -1.13 -1.01 0.00 0.00 177.57 174.96 2bbu h ASN 7 N 0.43 0.95 0.01 3.17 -0.00 -1.13 -2.79 115.58 116.22 2bbu h ASN 7 Ca 0.21 -0.54 -0.15 0.00 -0.00 0.00 0.00 56.30 55.82 2bbu h ASN 7 Cb 0.27 -0.27 0.01 0.00 -0.00 0.00 0.00 38.32 38.33 2bbu h ASN 7 CO -0.05 1.32 -0.59 0.00 -0.00 0.00 0.00 177.43 178.10 2bbu h ALA 8 N 0.66 0.06 -0.89 1.57 0.00 -1.11 -3.26 119.26 116.29 2bbu h ALA 8 Ca 0.01 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2bbu h ALA 8 Cb 1.16 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2bbu h ALA 8 CO 0.12 0.34 0.58 -0.39 0.00 0.00 0.00 179.25 179.90 2bbu h VAL 9 N -0.14 1.05 -0.35 0.00 -1.51 -0.90 0.39 116.25 114.79 2bbu h VAL 9 Ca -0.08 -0.34 0.06 0.00 -1.23 0.00 0.00 66.70 65.12 2bbu h VAL 9 Cb 1.31 -0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.39 2bbu h VAL 9 CO 0.12 0.18 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.54 2bbu h ARG 10 N 0.99 0.08 0.16 5.19 2.43 -1.54 2.84 114.38 124.53 2bbu h ARG 10 Ca 0.39 -0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.25 2bbu h ARG 10 Cb 0.24 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2bbu h ARG 10 CO -0.15 0.05 -1.30 0.87 -1.51 0.00 0.00 179.97 177.94 2bbu h LYS 11 N 0.09 0.60 -0.03 0.20 1.57 -1.47 -3.30 116.57 114.22 2bbu h LYS 11 Ca 0.17 -0.86 -0.14 0.00 -1.87 0.00 0.00 60.65 57.96 2bbu h LYS 11 Cb 0.24 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2bbu h LYS 11 CO -0.30 1.40 -0.62 1.25 -0.57 0.00 0.00 179.45 180.61 2bbu h LEU 12 N 0.22 0.12 -0.87 2.94 5.85 0.14 -3.00 115.31 120.71 2bbu h LEU 12 Ca -0.21 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2bbu h LEU 12 Cb 1.98 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 2bbu h LEU 12 CO 0.25 0.71 0.57 1.56 -0.34 0.00 0.00 178.44 181.18 2bbu h GLN 13 N 0.08 1.11 0.03 1.25 4.20 0.50 1.71 115.11 123.99 2bbu h GLN 13 Ca -0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2bbu h GLN 13 Cb 1.11 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2bbu h GLN 13 CO 0.09 0.73 -0.02 1.49 -0.67 0.00 0.00 178.83 180.45 2bbu h GLU 14 N 1.14 -0.04 -0.11 1.46 4.81 -1.66 -2.85 114.58 117.32 2bbu h GLU 14 Ca 0.33 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.39 2bbu h GLU 14 Cb -0.08 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.32 2bbu h GLU 14 CO -0.09 0.62 -0.61 1.03 -0.73 0.00 0.00 179.01 179.23 2bbu h SER 15 N -0.92 0.73 -1.41 1.04 0.87 -1.50 -3.36 113.55 109.00 2bbu h SER 15 Ca -0.00 -0.65 -0.76 0.00 -1.23 0.00 0.00 61.79 59.15 2bbu h SER 15 Cb 0.68 -0.22 -0.15 0.00 -0.44 0.00 0.00 62.40 62.28 2bbu h SER 15 CO 0.01 1.26 2.06 0.61 -0.53 0.00 0.00 176.83 180.23 2bbu n GLY 16 N 0.74 4.91 0.23 5.77 0.00 0.58 -4.88 105.19 112.55 2bbu n GLY 16 Ca -0.08 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 3.18 0.00 -3.33 1.61 1.16 -1.26 -4.64 117.46 114.18 2bbu n PHE 17 Ca 0.45 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.64 2bbu n PHE 17 Cb 0.33 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.14 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 -0.16 3.68 0.09 2.97 6.14 -1.08 -4.64 117.35 124.35 2bbu s TYR 18 Ca 0.00 1.09 0.08 0.00 0.64 0.00 0.00 57.07 58.88 2bbu s TYR 18 Cb 0.00 -2.48 -0.04 0.00 0.42 0.00 0.00 41.96 39.86 2bbu s TYR 18 CO 0.00 0.44 -0.19 -1.58 0.64 0.00 0.00 175.55 174.86 2bbu s TRP 19 N -0.44 2.52 0.00 4.97 0.52 -1.15 -4.97 118.94 120.40 2bbu s TRP 19 Ca 0.27 -0.27 0.09 0.00 0.02 0.00 0.00 56.10 56.21 2bbu s TRP 19 Cb -0.17 -1.38 0.14 0.00 -1.15 0.00 0.00 33.47 30.91 2bbu s TRP 19 CO 0.15 0.33 1.02 0.43 0.02 0.00 0.00 176.95 178.90 2bbu n SER 20 N 1.08 0.29 -0.82 2.95 7.64 -1.26 -3.64 113.62 119.85 2bbu n SER 20 Ca -0.16 -1.93 0.10 0.00 1.01 0.00 0.00 58.87 57.89 2bbu n SER 20 Cb 0.52 -0.20 0.09 0.00 -1.01 0.00 0.00 64.21 63.61 2bbu n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbu n ALA 21 N 0.17 2.46 -2.93 -0.43 0.00 -1.26 -4.87 120.51 113.65 2bbu n ALA 21 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2bbu n ALA 21 Cb 0.83 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.15 0.00 -2.97 0.00 0.24 -1.26 -5.09 118.33 110.40 2bbu n VAL 22 Ca 0.12 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.21 2bbu n VAL 22 Cb 0.51 -0.06 0.02 0.00 -1.47 0.00 0.00 33.84 32.84 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 1.26 3.48 0.00 3.34 2.01 -1.26 -4.77 115.64 119.70 2bbu s THR 23 Ca 0.00 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2bbu s THR 23 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.25 2bbu s THR 23 CO 0.00 -0.16 0.26 0.61 -0.69 0.00 0.00 174.62 174.64 2bbu n GLY 24 N -2.06 -1.90 0.09 4.40 0.00 -1.26 0.36 105.19 104.82 2bbu n GLY 24 Ca 0.04 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 0.11 1.93 -0.02 0.00 -1.95 -3.19 103.07 99.96 2bbu h GLY 25 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2bbu h GLY 25 CO 0.00 0.23 0.03 -2.09 0.00 0.00 0.00 176.54 174.71 2bbu h GLU 26 N 0.04 0.00 -0.03 4.80 4.81 -1.94 0.43 114.58 122.68 2bbu h GLU 26 Ca -0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2bbu h GLU 26 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 2bbu h GLU 26 CO 0.15 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 178.31 2bbu h ALA 27 N 1.96 0.05 -0.29 2.92 0.00 -0.08 -3.13 119.26 120.69 2bbu h ALA 27 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2bbu h ALA 27 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bbu h ALA 27 CO -0.00 -0.04 -0.31 -2.95 0.00 0.00 0.00 179.25 175.95 2bbu h ASN 28 N -0.45 0.64 -0.32 0.00 7.08 -1.48 -2.97 115.58 118.08 2bbu h ASN 28 Ca -0.01 -0.25 0.05 0.00 -3.08 0.00 0.00 56.30 53.01 2bbu h ASN 28 Cb 0.76 -0.18 -0.02 0.00 -2.08 0.00 0.00 38.32 36.81 2bbu h ASN 28 CO 0.02 0.91 0.22 -0.07 -2.08 0.00 0.00 177.43 176.43 2bbu h LEU 29 N 0.53 0.19 -2.20 6.14 4.07 -0.98 -0.21 115.31 122.84 2bbu h LEU 29 Ca 0.06 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.07 2bbu h LEU 29 Cb 0.80 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2bbu h LEU 29 CO 0.07 0.12 0.26 0.17 -1.08 0.00 0.00 178.44 177.98 2bbu h LEU 30 N 0.21 0.00 -0.79 1.67 8.10 -1.46 0.62 115.31 123.67 2bbu h LEU 30 Ca 0.14 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.00 2bbu h LEU 30 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2bbu h LEU 30 CO -0.02 0.00 -0.50 0.17 -4.11 0.00 0.00 178.44 173.98 2bbu h LEU 31 N 0.00 0.30 -0.82 0.17 8.10 -1.20 -1.97 115.31 119.89 2bbu h LEU 31 Ca 0.08 -0.14 -0.12 0.00 0.11 0.00 0.00 57.88 57.81 2bbu h LEU 31 Cb 0.61 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 2bbu h LEU 31 CO -0.00 0.75 -0.46 0.28 -4.11 0.00 0.00 178.44 174.89 2bbu h SER 32 N 0.22 0.31 1.82 0.17 0.02 0.13 -0.53 113.55 115.69 2bbu h SER 32 Ca 0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2bbu h SER 32 Cb 0.95 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2bbu h SER 32 CO 0.08 0.73 -0.18 0.00 -1.14 0.00 0.00 176.83 176.32 2bbu h ALA 33 N 1.28 0.90 -3.00 3.77 0.00 -1.23 -3.39 119.26 117.59 2bbu h ALA 33 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2bbu h ALA 33 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bbu h ALA 33 CO 0.07 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.87 2bbu n GLU 34 N -3.10 0.00 -1.34 0.00 -0.58 -0.76 -4.87 120.64 109.98 2bbu n GLU 34 Ca 0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2bbu n GLU 34 Cb 0.58 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.42 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2bbu n PRO 35 N -0.66 2.06 -1.69 3.49 -0.04 -0.29 -4.94 135.00 132.94 2bbu n PRO 35 Ca 0.00 -2.10 -0.42 0.00 -0.04 0.00 0.00 63.50 60.94 2bbu n PRO 35 Cb 0.00 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 6.73 1.11 -0.83 0.55 0.00 -0.72 -2.08 120.51 125.27 2bbu n ALA 36 Ca 0.51 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2bbu n ALA 36 Cb 0.38 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 0.85 0.49 3.33 0.00 0.00 -1.26 -5.03 105.19 103.56 2bbu n GLY 37 Ca 0.06 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 1.97 -0.03 2.61 2.01 -0.88 -4.30 115.64 115.02 2bbu s THR 38 Ca 0.00 -1.54 0.07 0.00 0.31 0.00 0.00 61.69 60.52 2bbu s THR 38 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 2bbu s THR 38 CO 0.00 0.10 -0.23 0.72 -0.69 0.00 0.00 174.62 174.52 2bbu s PHE 39 N -1.01 2.09 0.06 4.92 -0.12 -0.91 -4.33 117.98 118.68 2bbu s PHE 39 Ca 0.10 -0.45 -0.04 0.00 -0.05 0.00 0.00 56.93 56.50 2bbu s PHE 39 Cb -0.10 -1.36 -0.03 0.00 -0.63 0.00 0.00 43.02 40.91 2bbu s PHE 39 CO 0.04 -0.07 0.04 -1.17 -0.05 0.00 0.00 175.22 174.01 2bbu s LEU 40 N -0.44 2.12 0.11 -1.99 0.20 -1.25 -4.06 118.68 113.35 2bbu s LEU 40 Ca 0.06 -0.85 0.09 0.00 0.69 0.00 0.00 54.13 54.13 2bbu s LEU 40 Cb -0.10 0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 46.10 2bbu s LEU 40 CO -0.00 -0.62 -0.20 -0.51 -0.29 0.00 0.00 176.35 174.73 2bbu s ILE 41 N -3.73 2.71 0.16 6.68 2.07 -1.26 -3.34 121.20 124.50 2bbu s ILE 41 Ca 0.05 -1.50 0.10 0.00 -1.41 0.00 0.00 60.65 57.89 2bbu s ILE 41 Cb 0.06 -2.22 -0.04 0.00 0.13 0.00 0.00 42.46 40.39 2bbu s ILE 41 CO -0.10 0.14 -0.23 -0.60 -1.91 0.00 0.00 174.94 172.24 2bbu s ARG 42 N -2.01 1.39 -0.55 3.50 6.06 0.53 -2.94 118.95 124.94 2bbu s ARG 42 Ca 0.17 -1.42 -0.21 0.00 -2.50 0.00 0.00 55.73 51.77 2bbu s ARG 42 Cb -0.10 -1.70 0.06 0.00 0.06 0.00 0.00 34.95 33.26 2bbu s ARG 42 CO 0.09 0.38 0.79 0.34 -2.50 0.00 0.00 175.30 174.39 2bbu s ASP 43 N -2.43 6.25 1.11 -2.12 2.15 -1.24 -0.84 116.67 119.55 2bbu s ASP 43 Ca 0.16 -0.78 -0.17 0.00 0.43 0.00 0.00 52.55 52.19 2bbu s ASP 43 Cb -0.08 -2.36 0.14 0.00 -0.30 0.00 0.00 42.92 40.32 2bbu s ASP 43 CO 0.08 -1.10 0.29 -0.24 -0.17 0.00 0.00 175.17 174.02 2bbu n SER 44 N 6.83 -2.16 -0.24 -0.34 2.88 0.56 -4.83 113.62 116.33 2bbu n SER 44 Ca -0.04 -0.07 0.02 0.00 -1.33 0.00 0.00 58.87 57.46 2bbu n SER 44 Cb 0.46 -1.06 0.05 0.00 -0.75 0.00 0.00 64.21 62.90 2bbu n SER 44 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2bbu n SER 45 N -2.39 1.94 -4.01 -3.46 3.41 -1.26 -4.55 113.62 103.31 2bbu n SER 45 Ca 0.02 -1.63 -0.28 0.00 -0.26 0.00 0.00 58.87 56.71 2bbu n SER 45 Cb 0.59 -0.05 0.22 0.00 -0.26 0.00 0.00 64.21 64.71 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 0.09 -2.71 0.11 4.04 9.92 -1.26 -4.87 116.55 121.87 2bbu n ASP 46 Ca 0.04 -0.35 0.13 0.00 -0.53 0.00 0.00 54.79 54.08 2bbu n ASP 46 Cb 0.23 -1.01 0.42 0.00 -0.64 0.00 0.00 41.12 40.11 2bbu n ASP 46 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2bbu n GLN 47 N -3.62 0.25 -0.02 -1.24 7.27 -1.26 -3.02 117.38 115.74 2bbu n GLN 47 Ca 0.04 0.23 0.09 0.00 0.07 0.00 0.00 57.00 57.43 2bbu n GLN 47 Cb 0.55 -1.81 0.50 0.00 2.41 0.00 0.00 30.24 31.89 2bbu n GLN 47 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2bbu n ARG 48 N -2.25 1.16 -3.07 3.69 0.63 -1.26 -4.97 116.66 110.59 2bbu n ARG 48 Ca 0.05 -0.24 -0.00 0.00 -0.92 0.00 0.00 57.85 56.73 2bbu n ARG 48 Cb 0.41 -1.31 -0.00 0.00 0.45 0.00 0.00 32.46 32.01 2bbu n ARG 48 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2bbu n HIS 49 N -0.53 -0.71 -3.58 -0.14 -0.00 -1.17 -4.41 115.22 104.68 2bbu n HIS 49 Ca 0.14 0.35 -0.13 0.00 0.46 0.00 0.00 57.72 58.54 2bbu n HIS 49 Cb 0.12 -1.50 -0.05 0.00 -0.12 0.00 0.00 29.99 28.44 2bbu n HIS 49 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2bbu s PHE 50 N -0.74 -0.38 0.14 1.57 5.36 -1.26 -4.66 117.98 118.01 2bbu s PHE 50 Ca -0.02 0.33 0.09 0.00 -0.96 0.00 0.00 56.93 56.37 2bbu s PHE 50 Cb 0.00 0.33 -0.04 0.00 -0.34 0.00 0.00 43.02 42.97 2bbu s PHE 50 CO 0.13 -0.66 -0.16 -0.59 -1.46 0.00 0.00 175.22 172.48 2bbu s PHE 51 N -2.79 2.55 0.07 10.12 -0.12 -1.26 -0.33 117.98 126.23 2bbu s PHE 51 Ca -0.03 -0.26 0.07 0.00 -0.05 0.00 0.00 56.93 56.66 2bbu s PHE 51 Cb -0.00 -1.31 -0.03 0.00 -0.63 0.00 0.00 43.02 41.05 2bbu s PHE 51 CO -0.04 0.44 -0.19 0.99 -0.05 0.00 0.00 175.22 176.37 2bbu s THR 52 N -1.38 1.53 -0.08 -4.49 2.01 -0.02 -4.83 115.64 108.38 2bbu s THR 52 Ca 0.20 -1.31 0.01 0.00 0.31 0.00 0.00 61.69 60.90 2bbu s THR 52 Cb -0.10 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.06 2bbu s THR 52 CO 0.12 0.02 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.77 2bbu s LEU 53 N -1.52 1.28 0.16 4.42 2.96 -1.26 -0.34 118.68 124.37 2bbu s LEU 53 Ca 0.05 -0.24 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 2bbu s LEU 53 Cb -0.09 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 2bbu s LEU 53 CO 0.03 -0.07 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.33 2bbu s SER 54 N 1.26 2.99 0.45 3.68 0.01 -1.21 -4.06 113.70 116.81 2bbu s SER 54 Ca -0.04 -0.83 0.04 0.00 1.31 0.00 0.00 55.95 56.42 2bbu s SER 54 Cb -0.14 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2bbu s SER 54 CO -0.02 0.05 0.02 0.68 0.41 0.00 0.00 173.24 174.38 2bbu s VAL 55 N -1.71 1.44 -0.21 3.43 -7.23 -1.15 -3.90 120.40 111.07 2bbu s VAL 55 Ca 0.16 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2bbu s VAL 55 Cb -0.07 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2bbu s VAL 55 CO 0.07 0.00 0.09 -0.75 -0.31 0.00 0.00 175.10 174.20 2bbu s LYS 56 N -3.80 3.92 0.31 4.82 2.20 -1.26 -3.28 119.74 122.65 2bbu s LYS 56 Ca 0.20 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2bbu s LYS 56 Cb 0.05 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 2bbu s LYS 56 CO 0.10 0.12 0.06 0.95 -0.36 0.00 0.00 175.35 176.22 2bbu s THR 57 N 0.82 1.11 0.39 3.43 -4.23 -1.24 -4.75 115.64 111.17 2bbu s THR 57 Ca 0.04 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.76 2bbu s THR 57 Cb -0.13 -2.77 0.21 0.00 1.34 0.00 0.00 72.50 71.15 2bbu s THR 57 CO 0.02 -0.01 1.97 1.56 -0.54 0.00 0.00 174.62 177.62 2bbu h GLN 58 N 2.15 0.00 0.00 3.99 4.20 -2.00 -2.63 115.11 120.82 2bbu h GLN 58 Ca -0.40 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.09 2bbu h GLN 58 Cb 1.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 2bbu h GLN 58 CO 0.68 0.21 -1.31 1.03 -0.67 0.00 0.00 178.83 178.77 2bbu h SER 59 N 0.00 0.00 -2.53 1.46 0.87 -1.98 -3.50 113.55 107.87 2bbu h SER 59 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2bbu h SER 59 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2bbu h SER 59 CO 0.03 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 2bbu n GLY 60 N 1.42 4.06 3.74 5.77 0.00 -0.99 -5.11 105.19 114.09 2bbu n GLY 60 Ca -0.09 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2bbu n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbu s THR 61 N -2.00 4.23 0.09 2.61 -4.23 -1.26 -3.70 115.64 111.39 2bbu s THR 61 Ca 0.00 2.07 0.01 0.00 -1.18 0.00 0.00 61.69 62.59 2bbu s THR 61 Cb 0.00 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 2bbu s THR 61 CO 0.00 0.44 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.93 2bbu s LYS 62 N -0.76 0.79 0.05 3.99 -0.14 -1.21 -4.93 119.74 117.53 2bbu s LYS 62 Ca 0.43 -1.32 0.01 0.00 -1.36 0.00 0.00 55.97 53.73 2bbu s LYS 62 Cb -0.25 -0.07 -0.03 0.00 -1.68 0.00 0.00 37.83 35.80 2bbu s LYS 62 CO 0.31 -0.06 -0.05 0.54 -0.76 0.00 0.00 175.35 175.33 2bbu s ASN 63 N -3.01 0.62 0.03 2.83 2.20 -1.26 -2.93 114.94 113.41 2bbu s ASN 63 Ca 0.12 -0.74 0.01 0.00 -0.94 0.00 0.00 52.86 51.30 2bbu s ASN 63 Cb 0.06 0.11 -0.02 0.00 -2.00 0.00 0.00 41.25 39.40 2bbu s ASN 63 CO -0.06 -0.39 -0.06 -0.76 -2.94 0.00 0.00 177.10 172.90 2bbu s LEU 64 N -2.19 2.21 0.13 3.54 1.43 -1.26 -5.02 118.68 117.53 2bbu s LEU 64 Ca -0.03 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2bbu s LEU 64 Cb -0.02 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.07 2bbu s LEU 64 CO -0.04 -0.19 0.31 -0.13 0.23 0.00 0.00 176.35 176.52 2bbu s ARG 65 N -1.31 3.50 0.24 1.70 0.52 -1.26 -4.48 118.95 117.85 2bbu s ARG 65 Ca -0.10 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 2bbu s ARG 65 Cb -0.09 -2.93 -0.09 0.00 0.52 0.00 0.00 34.95 32.36 2bbu s ARG 65 CO -0.00 0.51 0.96 -1.50 0.02 0.00 0.00 175.30 175.29 2bbu s ILE 66 N -1.69 4.03 0.14 1.52 2.07 -1.26 -4.69 121.20 121.33 2bbu s ILE 66 Ca 0.37 2.02 -0.03 0.00 -1.41 0.00 0.00 60.65 61.60 2bbu s ILE 66 Cb -0.12 -4.29 -0.05 0.00 0.13 0.00 0.00 42.46 38.14 2bbu s ILE 66 CO 0.28 0.47 0.36 -1.10 -1.91 0.00 0.00 174.94 173.03 2bbu s GLN 67 N -1.12 3.57 -0.13 3.50 -0.21 0.12 -4.90 119.66 120.48 2bbu s GLN 67 Ca 0.42 -0.19 -0.09 0.00 0.02 0.00 0.00 55.36 55.52 2bbu s GLN 67 Cb -0.27 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 2bbu s GLN 67 CO 0.33 0.47 0.16 0.00 -2.12 0.00 0.00 175.29 174.13 2bbu s GLU 69 N -0.61 0.88 0.51 0.00 2.02 0.14 -4.99 118.70 116.65 2bbu s GLU 69 Ca 0.14 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.11 2bbu s GLU 69 Cb -0.12 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.93 2bbu s GLU 69 CO 0.03 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.84 2bbu n GLY 70 N 4.81 0.53 1.01 -1.39 0.00 -1.26 0.21 105.19 109.10 2bbu n GLY 70 Ca -0.04 0.52 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 5.38 3.00 -0.02 0.00 -1.26 -5.02 105.19 107.27 2bbu n GLY 71 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.32 0.33 0.04 1.61 1.04 0.56 -4.21 113.70 109.76 2bbu s SER 72 Ca 0.41 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 56.37 2bbu s SER 72 Cb 0.38 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2bbu s SER 72 CO -0.04 -0.32 -0.21 0.12 0.98 0.00 0.00 173.24 173.77 2bbu s PHE 73 N -1.67 1.85 -0.18 5.02 5.36 -1.26 0.28 117.98 127.37 2bbu s PHE 73 Ca -0.13 -0.38 -0.20 0.00 -0.96 0.00 0.00 56.93 55.26 2bbu s PHE 73 Cb -0.08 -1.10 0.05 0.00 -0.34 0.00 0.00 43.02 41.55 2bbu s PHE 73 CO -0.02 0.09 0.54 0.45 -1.46 0.00 0.00 175.22 174.83 2bbu s SER 74 N -1.18 -0.55 0.00 6.13 0.15 -1.00 -4.53 113.70 112.72 2bbu s SER 74 Ca 0.08 1.01 0.23 0.00 0.70 0.00 0.00 55.95 57.97 2bbu s SER 74 Cb -0.09 1.03 1.39 0.00 -1.71 0.00 0.00 66.02 66.64 2bbu s SER 74 CO 0.02 -0.23 1.81 -0.11 1.20 0.00 0.00 173.24 175.92 2bbu n LEU 75 N 2.56 0.00 0.00 3.45 7.94 -1.26 0.11 117.00 129.80 2bbu n LEU 75 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 2bbu n LEU 75 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2bbu n LEU 75 CO 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.38 2bbu n GLN 76 N -0.93 0.10 0.00 1.96 10.64 -1.26 -4.69 117.38 123.19 2bbu n GLN 76 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 2bbu n GLN 76 Cb 0.08 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.46 2bbu n GLN 76 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2bbu n SER 77 N 0.00 0.00 -4.69 2.61 3.41 -1.26 -4.60 113.62 109.09 2bbu n SER 77 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2bbu n SER 77 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2bbu n SER 77 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2bbu s ASP 78 N -2.00 7.03 -0.92 4.04 -4.77 -1.26 -4.83 116.67 113.96 2bbu s ASP 78 Ca 0.00 1.90 -0.06 0.00 -3.30 0.00 0.00 52.55 51.09 2bbu s ASP 78 Cb 0.00 -2.56 -0.07 0.00 -1.09 0.00 0.00 42.92 39.20 2bbu s ASP 78 CO 0.00 -0.58 2.27 -0.81 0.70 0.00 0.00 175.17 176.75 2bbu n PRO 79 N 4.98 2.23 0.00 2.11 -0.04 -1.26 -4.54 135.00 138.48 2bbu n PRO 79 Ca 0.11 -1.47 0.09 0.00 -0.04 0.00 0.00 63.50 62.19 2bbu n PRO 79 Cb 0.46 -2.43 0.50 0.00 -0.04 0.00 0.00 33.50 31.98 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 3.95 0.42 -0.28 0.54 3.00 -1.26 -3.45 116.66 119.58 2bbu n ARG 80 Ca 0.47 0.06 0.24 0.00 -0.00 0.00 0.00 57.85 58.62 2bbu n ARG 80 Cb 0.19 -1.50 0.57 0.00 0.00 0.00 0.00 32.46 31.73 2bbu n ARG 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2bbu h SER 81 N 0.00 0.31 0.00 6.15 4.64 -2.01 -3.44 113.55 119.20 2bbu h SER 81 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2bbu h SER 81 Cb 0.08 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2bbu h SER 81 CO 0.00 0.09 0.00 0.41 -0.87 0.00 0.00 176.83 176.46 2bbu n THR 82 N -4.48 0.00 0.42 2.95 -1.04 -1.22 -4.88 114.28 106.03 2bbu n THR 82 Ca 0.22 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 62.04 2bbu n THR 82 Cb 0.88 -0.44 -0.10 0.00 -1.82 0.00 0.00 70.33 68.85 2bbu n THR 82 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2bbu h GLN 83 N 0.80 -1.15 0.00 -2.82 4.15 -1.88 -3.43 115.11 110.78 2bbu h GLN 83 Ca 0.00 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2bbu h GLN 83 Cb 0.34 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.29 2bbu h GLN 83 CO 0.00 -0.77 0.00 -0.35 -1.93 0.00 0.00 178.83 175.78 2bbu n PRO 84 N -5.62 1.67 -4.66 -2.39 -0.04 -1.26 -5.09 135.00 117.61 2bbu n PRO 84 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 2bbu n PRO 84 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 2bbu n PRO 84 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bbu s VAL 85 N 0.00 1.23 0.18 0.52 -7.23 -1.26 -5.09 120.40 108.75 2bbu s VAL 85 Ca 0.00 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 57.92 2bbu s VAL 85 Cb 0.00 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 2bbu s VAL 85 CO 0.00 0.00 1.39 -2.16 -0.31 0.00 0.00 175.10 174.02 2bbu s PRO 86 N -3.92 4.32 -0.91 4.82 0.04 -1.26 -3.42 135.00 134.67 2bbu s PRO 86 Ca 0.09 2.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 2bbu s PRO 86 Cb 0.01 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 2bbu s PRO 86 CO 0.05 -0.39 0.73 0.54 0.04 0.00 0.00 177.00 177.98 2bbu n ARG 87 N 3.13 -1.45 0.00 4.56 3.00 -1.26 -5.00 116.66 119.64 2bbu n ARG 87 Ca 0.09 0.96 0.00 0.00 -0.01 0.00 0.00 57.85 58.89 2bbu n ARG 87 Cb 0.42 -4.56 0.00 0.00 0.00 0.00 0.00 32.46 28.32 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2bbu n PHE 88 N -2.83 0.00 -2.24 -1.55 -1.74 -1.22 -4.98 117.46 102.90 2bbu n PHE 88 Ca -0.10 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.36 2bbu n PHE 88 Cb 0.58 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.56 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2bbu s ASP 89 N -0.97 6.19 0.00 5.98 1.01 -1.26 -4.89 116.67 122.72 2bbu s ASP 89 Ca 0.00 0.95 0.00 0.00 0.71 0.00 0.00 52.55 54.21 2bbu s ASP 89 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2bbu s ASP 89 CO 0.00 -1.53 0.00 0.00 0.21 0.00 0.00 175.17 173.85 2bbu h VAL 91 N 0.00 0.10 -0.83 0.00 2.07 -1.86 0.03 116.25 115.77 2bbu h VAL 91 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2bbu h VAL 91 Cb 0.00 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 2bbu h VAL 91 CO 0.00 0.00 0.54 0.25 0.02 0.00 0.00 177.57 178.38 2bbu h LEU 92 N 0.00 0.53 -1.18 2.57 7.12 -1.62 0.16 115.31 122.88 2bbu h LEU 92 Ca 0.15 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 2bbu h LEU 92 Cb 1.47 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.50 2bbu h LEU 92 CO -0.00 0.27 0.22 0.50 -0.13 0.00 0.00 178.44 179.30 2bbu h LYS 93 N 0.56 0.79 -0.60 1.25 3.11 -0.84 -1.76 116.57 119.08 2bbu h LYS 93 Ca 0.41 -0.12 0.01 0.00 -2.81 0.00 0.00 60.65 58.14 2bbu h LYS 93 Cb 0.78 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 2bbu h LYS 93 CO -0.16 0.65 0.40 1.25 -2.81 0.00 0.00 179.45 178.78 2bbu h LEU 94 N 0.78 0.68 -1.18 5.20 6.46 -0.85 -1.48 115.31 124.93 2bbu h LEU 94 Ca 0.19 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.03 2bbu h LEU 94 Cb 0.15 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 2bbu h LEU 94 CO -0.02 0.49 0.58 0.58 -0.62 0.00 0.00 178.44 179.45 2bbu h VAL 95 N 0.80 0.97 -0.52 1.05 2.07 -1.16 -0.26 116.25 119.21 2bbu h VAL 95 Ca 0.22 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2bbu h VAL 95 Cb -0.07 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.62 2bbu h VAL 95 CO -0.05 0.17 0.18 -0.74 0.02 0.00 0.00 177.57 177.14 2bbu h HIS 96 N 0.91 0.31 -0.18 1.57 -0.00 -1.29 1.42 115.15 117.89 2bbu h HIS 96 Ca 0.42 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.68 2bbu h HIS 96 Cb 0.39 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2bbu h HIS 96 CO -0.00 0.09 -0.42 1.25 -0.00 0.00 0.00 177.93 178.84 2bbu h HIS 97 N 0.35 0.78 0.00 5.26 6.17 -1.33 -2.98 115.15 123.40 2bbu h HIS 97 Ca 0.25 -0.29 -0.02 0.00 0.71 0.00 0.00 60.37 61.02 2bbu h HIS 97 Cb 0.29 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.07 2bbu h HIS 97 CO -0.17 1.06 -0.10 1.88 0.71 0.00 0.00 177.93 181.31 2bbu h TYR 98 N 0.29 0.00 -2.39 5.26 0.05 -0.47 -3.41 116.97 116.30 2bbu h TYR 98 Ca -0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 2bbu h TYR 98 Cb 1.03 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.68 2bbu h TYR 98 CO 0.09 0.10 0.46 1.41 -1.05 0.00 0.00 178.16 179.17 2bbu s MET 99 N -3.77 1.16 0.98 4.88 1.75 0.48 -4.63 119.30 120.15 2bbu s MET 99 Ca -0.00 -0.60 -0.13 0.00 -1.25 0.00 0.00 55.69 53.71 2bbu s MET 99 Cb 0.10 0.42 0.18 0.00 2.84 0.00 0.00 34.83 38.37 2bbu s MET 99 CO 0.57 -0.53 1.12 -1.25 -0.65 0.00 0.00 175.02 174.29 2bbu s PRO 100 N -3.30 0.60 0.41 4.11 0.04 -1.26 -3.51 135.00 132.09 2bbu s PRO 100 Ca 0.10 0.32 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 2bbu s PRO 100 Cb -0.02 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 2bbu s PRO 100 CO -0.00 -2.57 1.10 -1.25 0.04 0.00 0.00 177.00 174.32 2bbu s PRO 101 N -5.18 4.04 0.14 0.56 0.04 -1.26 -4.80 135.00 128.54 2bbu s PRO 101 Ca 0.65 1.65 0.22 0.00 0.04 0.00 0.00 61.00 63.56 2bbu s PRO 101 Cb -0.16 -2.54 0.88 0.00 0.04 0.00 0.00 34.50 32.73 2bbu s PRO 101 CO 0.55 -0.28 1.68 -0.35 0.04 0.00 0.00 177.00 178.64 2bbu n PRO 102 N -0.15 0.12 -0.17 0.56 -0.04 -1.26 -4.77 135.00 129.30 2bbu n PRO 102 Ca 0.05 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2bbu n PRO 102 Cb 0.49 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.46 -0.12 2.83 0.55 0.00 -1.26 -4.80 105.19 102.84 2bbu n GLY 103 Ca 0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.99-10.04 0.00 2.61 -1.04 -1.26 -5.01 114.28 98.55 2bbu n THR 104 Ca 0.00 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 2bbu n THR 104 Cb 0.00 -6.90 0.00 0.00 -1.82 0.00 0.00 70.33 61.61 2bbu n THR 104 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2bbu n PRO 105 N -0.89 0.00 -3.65 -2.82 -0.04 -1.26 -5.05 135.00 121.29 2bbu n PRO 105 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2bbu n PRO 105 Cb 0.46 -0.17 -0.07 0.00 -0.04 0.00 0.00 33.50 33.68 2bbu n PRO 105 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu s SER 106 N -1.34 -0.32 -0.50 3.54 0.15 -1.26 -5.08 113.70 108.90 2bbu s SER 106 Ca 0.00 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.26 2bbu s SER 106 Cb 0.00 0.95 0.35 0.00 -1.71 0.00 0.00 66.02 65.62 2bbu s SER 106 CO 0.00 -0.09 0.90 0.33 1.20 0.00 0.00 173.24 175.58 2bbu n PHE 107 N 3.00 2.77 -1.97 3.44 7.35 -1.26 -5.09 117.46 125.70 2bbu n PHE 107 Ca -0.16 -3.83 0.00 0.00 -0.76 0.00 0.00 57.45 52.70 2bbu n PHE 107 Cb 0.57 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.97 2bbu n PHE 107 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2bbu n SER 108 N -0.11 0.00 -4.40 -2.13 7.64 -1.26 -4.60 113.62 108.76 2bbu n SER 108 Ca 0.29 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.72 2bbu n SER 108 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2bbu n SER 108 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bbu n LEU 109 N 0.00 -1.19 -4.65 -3.43 7.94 -1.26 -4.80 117.00 109.61 2bbu n LEU 109 Ca 0.00 1.00 -0.43 0.00 -1.11 0.00 0.00 56.01 55.47 2bbu n LEU 109 Cb 0.00 -0.99 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 2bbu n LEU 109 CO 0.00 -3.17 1.18 -2.16 -1.11 0.00 0.00 177.39 172.14 2bbu s PRO 110 N -1.16 4.13 0.00 1.96 0.04 -1.26 -5.01 135.00 133.69 2bbu s PRO 110 Ca 0.62 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2bbu s PRO 110 Cb -0.76 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2bbu s PRO 110 CO 0.59 -0.86 0.00 -0.35 0.04 0.00 0.00 177.00 176.41 2bbu n PRO 111 N 6.94 1.06 -1.33 0.56 -0.04 -1.26 -4.93 135.00 136.00 2bbu n PRO 111 Ca 0.15 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.78 2bbu n PRO 111 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 2bbu n PRO 111 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2bbu n THR 112 N -0.34 0.00 -1.34 0.52 -1.04 -1.26 -4.97 114.28 105.86 2bbu n THR 112 Ca 0.00 0.25 0.15 0.00 -2.04 0.00 0.00 64.05 62.41 2bbu n THR 112 Cb 0.00 -0.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.74 2bbu n THR 112 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2bbu n GLU 113 N -3.98 -2.93 -2.20 -2.82 1.02 -1.26 -4.46 120.64 104.02 2bbu n GLU 113 Ca -0.02 2.40 -0.39 0.00 -0.02 0.00 0.00 57.16 59.13 2bbu n GLU 113 Cb 0.66 -3.48 -0.03 0.00 -0.02 0.00 0.00 31.44 28.57 2bbu n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bbu s PRO 114 N -4.48 2.81 0.00 3.49 0.04 -1.26 -4.68 135.00 130.92 2bbu s PRO 114 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2bbu s PRO 114 Cb 0.00 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2bbu s PRO 114 CO 0.00 -2.55 0.90 0.45 0.04 0.00 0.00 177.00 175.83 2bbu n SER 115 N 11.69 0.00 0.00 6.66 2.88 -1.26 -5.00 113.62 128.58 2bbu n SER 115 Ca 0.15 -1.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.90 2bbu n SER 115 Cb 0.51 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2bbu n SER 115 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bbu n SER 116 N 0.00 0.00 0.00 -3.46 7.64 -1.26 -5.08 113.62 111.46 2bbu n SER 116 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bbu n SER 116 Cb 0.66 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 2bbu n SER 116 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2bbu n GLU 117 N -1.45 0.00 -2.99 1.43 2.13 -1.26 -5.10 120.64 113.39 2bbu n GLU 117 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2bbu n GLU 117 Cb 0.00 -0.15 0.01 0.00 0.27 0.00 0.00 31.44 31.56 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bbu n VAL 118 N -2.14 -8.03 0.00 6.31 0.31 -1.26 -4.98 118.33 108.53 2bbu n VAL 118 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 2bbu n VAL 118 Cb 0.00 -5.49 0.00 0.00 -0.91 0.00 0.00 33.84 27.44 2bbu n VAL 118 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bbu n PRO 119 N 0.51 0.00 -4.55 5.55 -0.04 -1.26 -5.03 135.00 130.17 2bbu n PRO 119 Ca 0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 2bbu n PRO 119 Cb 0.33 -0.19 -0.08 0.00 -0.04 0.00 0.00 33.50 33.52 2bbu n PRO 119 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2bbu s GLU 120 N -0.01 2.00 -0.04 0.54 -1.05 -1.26 -5.15 118.70 113.72 2bbu s GLU 120 Ca 0.00 -2.23 0.03 0.00 -0.15 0.00 0.00 54.97 52.61 2bbu s GLU 120 Cb 0.00 -0.71 0.01 0.00 -0.44 0.00 0.00 34.13 32.99 2bbu s GLU 120 CO 0.00 -0.49 -0.11 -0.65 0.95 0.00 0.00 175.26 174.96 2bbu s GLN 121 N -3.71 1.25 0.19 -4.83 -0.21 -1.26 -5.12 119.66 105.98 2bbu s GLN 121 Ca 0.20 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 54.92 2bbu s GLN 121 Cb 0.02 -1.12 -0.08 0.00 1.00 0.00 0.00 33.01 32.83 2bbu s GLN 121 CO 0.13 0.11 1.18 -1.25 -2.12 0.00 0.00 175.29 173.33 2bbu s PRO 122 N 0.31 4.52 -0.72 2.91 0.04 -1.26 -4.90 135.00 135.90 2bbu s PRO 122 Ca -0.06 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2bbu s PRO 122 Cb -0.11 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2bbu s PRO 122 CO 0.01 -0.04 2.39 -0.35 0.04 0.00 0.00 177.00 179.05 2bbu n PRO 123 N 2.34 2.08 -0.03 0.56 -0.04 -1.26 -4.26 135.00 134.40 2bbu n PRO 123 Ca 0.04 -1.30 -0.05 0.00 -0.04 0.00 0.00 63.50 62.14 2bbu n PRO 123 Cb 0.45 -2.30 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 124 N 3.60 1.72 -3.48 0.55 0.00 -1.26 -5.00 120.51 116.63 2bbu n ALA 124 Ca 0.44 -0.84 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 2bbu n ALA 124 Cb 0.30 -0.69 0.06 0.00 0.00 0.00 0.00 19.45 19.12 2bbu n ALA 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bbu n GLN 125 N -2.86 -3.85 -0.47 0.00 6.02 -1.26 -4.90 117.38 110.06 2bbu n GLN 125 Ca -0.18 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2bbu n GLN 125 Cb 0.99 -5.39 0.00 0.00 1.02 0.00 0.00 30.24 26.85 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bbu n ALA 126 N -3.88 1.93 -3.64 -1.58 0.00 -1.26 -5.02 120.51 107.07 2bbu n ALA 126 Ca -0.19 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.35 2bbu n ALA 126 Cb 0.64 -0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bbu s LEU 127 N 0.00 1.75 0.00 0.00 1.43 -1.26 -5.12 118.68 115.47 2bbu s LEU 127 Ca 0.00 -1.90 0.00 0.00 -1.03 0.00 0.00 54.13 51.20 2bbu s LEU 127 Cb 0.00 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.51 2bbu s LEU 127 CO 0.00 -0.37 0.00 -0.81 0.23 0.00 0.00 176.35 175.40 2bbu n PRO 128 N 4.48 -0.09 0.00 1.29 -0.04 -1.26 -5.08 135.00 134.29 2bbu n PRO 128 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2bbu n PRO 128 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2bbu n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 129 N 3.19 -1.68 0.00 0.55 0.00 -1.26 -5.13 105.19 100.86 2bbu n GLY 129 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2bbu n GLY 129 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bbu n SER 130 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.10 113.62 111.75 2bbu n SER 130 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bbu n SER 130 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bbu n SER 130 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2bbu n THR 131 N 0.00 0.00 -1.14 2.46 -2.24 -1.26 -5.01 114.28 107.09 2bbu n THR 131 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2bbu n THR 131 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.85 1.88 -0.36 -0.78 -0.04 -1.26 -4.72 135.00 126.87 2bbu n PRO 132 Ca 0.00 -1.87 0.28 0.00 -0.04 0.00 0.00 63.50 61.87 2bbu n PRO 132 Cb 0.00 -2.86 0.54 0.00 -0.04 0.00 0.00 33.50 31.14 2bbu n PRO 132 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2bbu h LYS 133 N 7.19 0.25 -4.79 0.54 1.79 -2.04 -3.42 116.57 116.09 2bbu h LYS 133 Ca 0.47 -0.01 -0.39 0.00 -2.18 0.00 0.00 60.65 58.53 2bbu h LYS 133 Cb 0.54 -0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 30.99 2bbu h LYS 133 CO 1.83 0.16 -0.53 -0.98 -1.08 0.00 0.00 179.45 178.86 2bbu s ARG 134 N -5.52 1.58 0.00 3.15 1.04 -1.26 -5.15 118.95 112.79 2bbu s ARG 134 Ca -0.09 -1.89 0.00 0.00 -1.04 0.00 0.00 55.73 52.71 2bbu s ARG 134 Cb 0.29 0.31 0.00 0.00 -2.04 0.00 0.00 34.95 33.51 2bbu s ARG 134 CO 0.80 -0.57 0.00 0.00 -0.04 0.00 0.00 175.30 175.49 2bbu n ALA 135 N -0.51 0.00 -3.70 7.88 0.00 -1.26 -5.10 120.51 117.82 2bbu n ALA 135 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 2bbu n ALA 135 Cb 0.63 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.93 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 2.84 0.24 0.00 5.04 -1.01 -4.98 117.35 119.49 2bbu s TYR 136 Ca 0.00 -1.22 -0.18 0.00 -2.44 0.00 0.00 57.07 53.23 2bbu s TYR 136 Cb 0.00 -1.97 0.02 0.00 0.35 0.00 0.00 41.96 40.36 2bbu s TYR 136 CO 0.00 -0.61 0.61 1.52 -1.34 0.00 0.00 175.55 175.72 2bbu s TYR 137 N 1.20 -0.07 0.11 4.97 -0.85 -1.26 -2.54 117.35 118.92 2bbu s TYR 137 Ca 0.02 -0.32 0.10 0.00 -0.52 0.00 0.00 57.07 56.34 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 -0.06 -1.07 -0.25 0.42 -1.52 0.00 0.00 175.55 173.07 2bbu s ILE 138 N -3.92 2.08 -0.45 -3.49 1.09 -1.18 -4.91 121.20 110.41 2bbu s ILE 138 Ca 0.13 -1.66 -0.26 0.00 -1.10 0.00 0.00 60.65 57.76 2bbu s ILE 138 Cb -0.03 -1.85 0.03 0.00 -1.06 0.00 0.00 42.46 39.55 2bbu s ILE 138 CO 0.04 0.06 0.93 -0.31 -0.10 0.00 0.00 174.94 175.56 2bbu s TYR 139 N -1.07 2.93 -0.33 3.97 2.02 -1.26 -2.17 117.35 121.45 2bbu s TYR 139 Ca 0.11 0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 57.22 2bbu s TYR 139 Cb -0.10 -3.95 -0.05 0.00 -0.40 0.00 0.00 41.96 37.46 2bbu s TYR 139 CO 0.05 -1.08 1.57 0.43 -1.57 0.00 0.00 175.55 174.96 2bbu n SER 140 N 7.15 2.37 -2.43 2.29 7.64 1.03 -4.42 113.62 127.25 2bbu n SER 140 Ca 0.06 -2.05 -0.04 0.00 1.01 0.00 0.00 58.87 57.86 2bbu n SER 140 Cb 0.48 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bbu n GLY 141 N 3.50 -1.94 2.85 0.23 0.00 -1.26 -3.78 105.19 104.78 2bbu n GLY 141 Ca 0.21 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.11 2.82 3.14 -0.02 0.00 -1.26 -4.98 105.19 104.78 2bbu n GLY 142 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.06 3.00 -0.53 1.61 2.12 -1.25 -5.08 118.70 118.50 2bbu s GLU 143 Ca 0.00 -0.84 -0.22 0.00 0.36 0.00 0.00 54.97 54.27 2bbu s GLU 143 Cb 0.00 -2.53 0.05 0.00 0.26 0.00 0.00 34.13 31.91 2bbu s GLU 143 CO 0.00 -0.15 0.80 -1.59 -0.54 0.00 0.00 175.26 173.79 2bbu s LYS 144 N 1.14 3.24 -0.43 4.30 -2.85 -1.26 0.34 119.74 124.22 2bbu s LYS 144 Ca 0.01 -0.55 -0.16 0.00 -1.00 0.00 0.00 55.97 54.27 2bbu s LYS 144 Cb -0.14 -4.08 0.03 0.00 -2.06 0.00 0.00 37.83 31.58 2bbu s LYS 144 CO -0.09 -1.38 0.36 0.42 0.10 0.00 0.00 175.35 174.75 2bbu s ILE 145 N 3.38 5.20 0.06 3.79 1.09 -0.92 -4.94 121.20 128.86 2bbu s ILE 145 Ca 0.24 -0.64 -0.31 0.00 -1.10 0.00 0.00 60.65 58.84 2bbu s ILE 145 Cb -0.16 -4.00 -0.06 0.00 -1.06 0.00 0.00 42.46 37.19 2bbu s ILE 145 CO 0.16 -0.39 1.27 -2.16 -0.10 0.00 0.00 174.94 173.72 2bbu s PRO 146 N 1.82 4.38 -0.04 2.79 0.04 -1.26 -3.12 135.00 139.60 2bbu s PRO 146 Ca 0.07 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2bbu s PRO 146 Cb -0.19 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 2bbu s PRO 146 CO 0.10 -0.36 -0.17 -0.51 0.04 0.00 0.00 177.00 176.10 2bbu s LEU 147 N 1.35 1.94 -0.32 -3.56 1.43 -1.05 -4.97 118.68 113.50 2bbu s LEU 147 Ca 0.61 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 2bbu s LEU 147 Cb -0.31 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2bbu s LEU 147 CO 0.28 0.16 0.30 0.68 0.23 0.00 0.00 176.35 178.01 2bbu s VAL 148 N -0.03 5.22 -0.05 -1.59 -7.23 -1.26 -2.40 120.40 113.07 2bbu s VAL 148 Ca -0.02 0.11 0.05 0.00 -1.81 0.00 0.00 61.98 60.31 2bbu s VAL 148 Cb -0.11 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.09 2bbu s VAL 148 CO 0.02 0.04 -0.20 -1.48 -0.31 0.00 0.00 175.10 173.16 2bbu s LEU 149 N 1.92 2.36 -0.11 1.32 0.05 -1.26 -4.99 118.68 117.97 2bbu s LEU 149 Ca 0.10 -0.37 0.02 0.00 0.05 0.00 0.00 54.13 53.94 2bbu s LEU 149 Cb -0.16 -1.45 0.08 0.00 -2.05 0.00 0.00 46.19 42.61 2bbu s LEU 149 CO 0.11 0.30 0.77 -1.54 -0.55 0.00 0.00 176.35 175.43 2bbu n SER 150 N 2.62 -0.44 -4.38 1.48 3.41 -1.26 -4.63 113.62 110.43 2bbu n SER 150 Ca -0.17 -1.31 -0.34 0.00 -0.26 0.00 0.00 58.87 56.78 2bbu n SER 150 Cb 0.52 0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 64.61 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 0.03 3.46 0.45 4.33 3.00 -1.26 -5.01 118.95 123.95 2bbu s ARG 151 Ca 0.02 -0.61 -0.22 0.00 0.00 0.00 0.00 55.73 54.92 2bbu s ARG 151 Cb 0.09 -2.90 -0.08 0.00 0.00 0.00 0.00 34.95 32.05 2bbu s ARG 151 CO -0.02 0.01 1.09 -1.25 0.00 0.00 0.00 175.30 175.13 2bbu s PRO 152 N 0.92 3.90 -0.12 3.54 0.04 -1.26 -2.13 135.00 139.89 2bbu s PRO 152 Ca -0.01 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 2bbu s PRO 152 Cb -0.15 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 2bbu s PRO 152 CO 0.01 -0.39 0.58 -1.17 0.04 0.00 0.00 177.00 176.07 2bbu s LEU 153 N -3.03 4.26 -0.98 -3.56 1.98 -1.26 -4.77 118.68 111.32 2bbu s LEU 153 Ca 0.63 0.93 -0.24 0.00 -2.89 0.00 0.00 54.13 52.56 2bbu s LEU 153 Cb -0.23 -2.85 -0.02 0.00 0.66 0.00 0.00 46.19 43.75 2bbu s LEU 153 CO 0.28 -0.09 1.80 -0.44 -1.89 0.00 0.00 176.35 176.01 2bbu s SER 154 N 0.80 5.59 -0.01 3.68 0.01 -1.26 -4.52 113.70 117.98 2bbu s SER 154 Ca 0.30 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2bbu s SER 154 Cb -0.16 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 2bbu s SER 154 CO 0.13 -2.36 -0.01 -1.54 0.41 0.00 0.00 173.24 169.87 2bbu n SER 155 N 12.34 4.06 0.00 2.44 3.41 -1.26 -5.12 113.62 129.49 2bbu n SER 155 Ca 0.39 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2bbu n SER 155 Cb 0.48 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2bbu n SER 155 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68