#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 0.70 -0.93 4.31 -0.00 -1.78 -2.65 116.97 116.62 2bbu h TYR 2 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 58.73 58.76 2bbu h TYR 2 Cb 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 36.73 36.45 2bbu h TYR 2 CO 0.00 0.65 0.56 0.37 -0.00 0.00 0.00 178.16 179.74 2bbu h GLN 3 N 0.64 0.88 -0.16 0.10 5.75 -1.97 0.40 115.11 120.75 2bbu h GLN 3 Ca 0.13 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2bbu h GLN 3 Cb 0.37 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2bbu h GLN 3 CO 0.01 0.58 0.00 -0.07 -2.65 0.00 0.00 178.83 176.71 2bbu h LEU 4 N 0.91 0.28 -0.28 -2.39 3.38 -1.89 -1.01 115.31 114.31 2bbu h LEU 4 Ca 0.45 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2bbu h LEU 4 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2bbu h LEU 4 CO -0.26 0.52 0.04 0.58 0.09 0.00 0.00 178.44 179.41 2bbu h VAL 5 N 0.03 1.23 -0.13 1.22 2.07 -1.27 -1.78 116.25 117.63 2bbu h VAL 5 Ca 0.05 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2bbu h VAL 5 Cb 0.37 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2bbu h VAL 5 CO 0.01 0.26 0.03 0.58 0.02 0.00 0.00 177.57 178.47 2bbu h VAL 6 N 0.28 0.95 -0.85 2.57 2.07 -0.20 1.00 116.25 122.07 2bbu h VAL 6 Ca 0.08 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2bbu h VAL 6 Cb 0.35 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2bbu h VAL 6 CO 0.01 0.02 0.56 -1.13 0.02 0.00 0.00 177.57 177.04 2bbu h ASN 7 N 0.09 0.92 0.01 0.57 -0.73 -1.11 0.69 115.58 116.01 2bbu h ASN 7 Ca 0.06 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.07 2bbu h ASN 7 Cb 0.04 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.43 2bbu h ASN 7 CO -0.07 0.64 -0.58 0.00 -0.37 0.00 0.00 177.43 177.05 2bbu h ALA 8 N 1.50 0.05 -1.00 1.57 0.00 -0.61 -3.17 119.26 117.60 2bbu h ALA 8 Ca 0.33 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2bbu h ALA 8 Cb 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2bbu h ALA 8 CO -0.10 0.32 0.65 0.28 0.00 0.00 0.00 179.25 180.41 2bbu h VAL 9 N -0.18 1.12 -0.87 0.00 2.07 0.14 0.13 116.25 118.65 2bbu h VAL 9 Ca -0.08 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.11 2bbu h VAL 9 Cb 1.31 -0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2bbu h VAL 9 CO 0.11 0.22 0.53 -0.09 0.02 0.00 0.00 177.57 178.36 2bbu h ARG 10 N 1.20 0.89 0.03 1.57 1.12 -0.89 0.62 114.38 118.92 2bbu h ARG 10 Ca 0.42 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 59.09 2bbu h ARG 10 Cb 0.11 -0.20 0.01 0.00 -0.01 0.00 0.00 29.97 29.89 2bbu h ARG 10 CO -0.15 0.59 -0.59 -0.22 -3.11 0.00 0.00 179.97 176.48 2bbu h LYS 11 N 0.92 0.35 -0.49 0.20 3.11 -1.20 -2.05 116.57 117.40 2bbu h LYS 11 Ca 0.40 -0.41 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 2bbu h LYS 11 Cb 0.29 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2bbu h LYS 11 CO -0.21 1.11 0.25 -0.07 -2.81 0.00 0.00 179.45 177.71 2bbu h LEU 12 N -0.23 0.64 -0.91 5.20 3.38 -0.39 -2.54 115.31 120.44 2bbu h LEU 12 Ca -0.08 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2bbu h LEU 12 Cb 1.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2bbu h LEU 12 CO 0.12 0.57 -0.34 0.06 0.09 0.00 0.00 178.44 178.94 2bbu h GLN 13 N 0.65 0.38 -0.55 1.13 3.07 0.14 -3.09 115.11 116.86 2bbu h GLN 13 Ca 0.17 -0.17 0.04 0.00 0.09 0.00 0.00 58.65 58.78 2bbu h GLN 13 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.60 2bbu h GLN 13 CO -0.02 0.68 0.31 0.93 0.09 0.00 0.00 178.83 180.81 2bbu h GLU 14 N 0.33 0.58 -0.91 0.06 5.08 -0.95 -1.86 114.58 116.91 2bbu h GLU 14 Ca 0.04 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2bbu h GLU 14 Cb 0.76 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 2bbu h GLU 14 CO 0.06 0.38 0.59 0.77 -1.00 0.00 0.00 179.01 179.81 2bbu h SER 15 N 0.60 0.83 0.00 1.42 0.02 -1.42 -3.46 113.55 111.54 2bbu h SER 15 Ca 0.23 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2bbu h SER 15 Cb 0.09 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2bbu h SER 15 CO -0.13 0.49 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 2bbu n GLY 16 N -1.40 1.44 0.03 -3.77 0.00 -0.70 -5.01 105.19 95.78 2bbu n GLY 16 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.28 0.00 -3.14 1.61 1.16 -1.25 -4.43 117.46 111.13 2bbu n PHE 17 Ca 0.00 -0.02 -0.41 0.00 -1.87 0.00 0.00 57.45 55.15 2bbu n PHE 17 Cb 0.00 -0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 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 -0.04 3.22 0.23 2.97 6.14 -1.25 -4.70 117.35 123.92 2bbu s TYR 18 Ca 0.00 0.55 -0.26 0.00 0.64 0.00 0.00 57.07 58.00 2bbu s TYR 18 Cb 0.00 -2.95 -0.09 0.00 0.42 0.00 0.00 41.96 39.34 2bbu s TYR 18 CO 0.00 -0.46 0.86 -1.58 0.64 0.00 0.00 175.55 175.01 2bbu s TRP 19 N 2.55 3.85 -0.30 4.97 0.52 -0.74 -4.92 118.94 124.88 2bbu s TRP 19 Ca 0.24 1.73 -0.03 0.00 0.02 0.00 0.00 56.10 58.06 2bbu s TRP 19 Cb -0.15 -2.85 0.19 0.00 -1.15 0.00 0.00 33.47 29.50 2bbu s TRP 19 CO 0.12 0.40 0.69 -1.12 0.02 0.00 0.00 176.95 177.06 2bbu s SER 20 N -1.33 -1.22 0.00 2.95 0.01 -1.26 -2.96 113.70 109.89 2bbu s SER 20 Ca 0.42 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2bbu s SER 20 Cb -0.22 1.99 0.00 0.00 0.21 0.00 0.00 66.02 68.00 2bbu s SER 20 CO 0.27 -0.23 0.00 0.00 0.41 0.00 0.00 173.24 173.69 2bbu n ALA 21 N 5.43 0.00 -2.41 1.44 0.00 -1.26 -4.96 120.51 118.75 2bbu n ALA 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2bbu n ALA 21 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.78 0.00 0.24 -1.26 -5.10 118.33 109.43 2bbu n VAL 22 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 2bbu n VAL 22 Cb 0.00 -0.39 0.07 0.00 -1.47 0.00 0.00 33.84 32.05 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 1.93 2.31 0.00 3.34 2.01 -1.26 -4.79 115.64 119.18 2bbu s THR 23 Ca 0.00 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2bbu s THR 23 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2bbu s THR 23 CO 0.00 0.00 0.19 0.61 -0.69 0.00 0.00 174.62 174.73 2bbu n GLY 24 N -2.46 -1.92 0.11 4.40 0.00 -1.26 -0.77 105.19 103.28 2bbu n GLY 24 Ca 0.13 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 0.14 1.95 -0.02 0.00 -1.95 -3.12 103.07 100.06 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 0.02 -2.09 0.00 0.00 0.00 176.54 174.69 2bbu h GLU 26 N 0.06 0.00 -0.00 4.80 4.81 -1.96 0.35 114.58 122.64 2bbu h GLU 26 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2bbu h GLU 26 Cb 1.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2bbu h GLU 26 CO 0.13 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.40 2bbu h ALA 27 N 1.97 0.00 -0.19 2.92 0.00 -0.89 -2.36 119.26 120.72 2bbu h ALA 27 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2bbu h ALA 27 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bbu h ALA 27 CO -0.00 -0.13 -0.21 -2.95 0.00 0.00 0.00 179.25 175.96 2bbu h ASN 28 N -0.73 0.51 -0.24 0.00 7.08 -1.49 -3.12 115.58 117.60 2bbu h ASN 28 Ca -0.00 -0.49 0.01 0.00 -3.08 0.00 0.00 56.30 52.73 2bbu h ASN 28 Cb 0.74 -0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 36.82 2bbu h ASN 28 CO 0.00 0.90 0.16 -0.07 -2.08 0.00 0.00 177.43 176.34 2bbu h LEU 29 N 0.13 0.26 -1.93 6.14 4.07 -0.44 -1.49 115.31 122.04 2bbu h LEU 29 Ca 0.03 -0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.11 2bbu h LEU 29 Cb 0.76 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 2bbu h LEU 29 CO 0.05 0.19 0.35 0.17 -1.08 0.00 0.00 178.44 178.12 2bbu h LEU 30 N 0.31 0.07 -0.77 1.67 8.10 -1.35 0.59 115.31 123.93 2bbu h LEU 30 Ca 0.09 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.95 2bbu h LEU 30 Cb -0.02 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 2bbu h LEU 30 CO -0.02 0.04 -0.45 0.25 -4.11 0.00 0.00 178.44 174.15 2bbu h LEU 31 N 0.07 0.40 -0.78 0.17 7.12 -1.39 -1.88 115.31 119.02 2bbu h LEU 31 Ca 0.24 -0.19 -0.13 0.00 0.13 0.00 0.00 57.88 57.93 2bbu h LEU 31 Cb 0.85 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 2bbu h LEU 31 CO -0.02 0.80 -0.50 0.77 -0.13 0.00 0.00 178.44 179.36 2bbu h SER 32 N 0.31 0.28 1.84 1.25 4.64 0.09 -1.15 113.55 120.80 2bbu h SER 32 Ca 0.02 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2bbu h SER 32 Cb 0.92 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2bbu h SER 32 CO 0.08 0.74 -0.17 0.00 -0.87 0.00 0.00 176.83 176.61 2bbu h ALA 33 N 1.27 0.91 -2.92 5.18 0.00 -0.87 -3.37 119.26 119.46 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 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bbu h ALA 33 CO 0.08 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.83 2bbu n GLU 34 N -3.09 0.00 -0.89 0.00 1.02 -0.73 -4.81 120.64 112.14 2bbu n GLU 34 Ca 0.03 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 2bbu n GLU 34 Cb 0.57 0.00 -0.08 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 -1.04 2.18 -1.63 3.49 -0.04 -0.55 -4.93 135.00 132.48 2bbu n PRO 35 Ca 0.00 -1.27 -0.43 0.00 -0.04 0.00 0.00 63.50 61.76 2bbu n PRO 35 Cb 0.00 -2.24 -0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.24 0.44 -0.37 0.55 0.00 -0.55 -2.56 120.51 121.26 2bbu n ALA 36 Ca 0.47 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.22 2bbu n ALA 36 Cb 0.45 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 1.06 0.79 2.98 0.00 0.00 -1.26 -5.04 105.19 103.72 2bbu n GLY 37 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.16 0.11 2.61 2.01 -1.06 -4.43 115.64 113.04 2bbu s THR 38 Ca 0.00 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.27 2bbu s THR 38 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2bbu s THR 38 CO 0.00 -0.42 -0.25 0.72 -0.69 0.00 0.00 174.62 173.98 2bbu s PHE 39 N -1.28 2.15 0.12 4.92 -0.71 -1.15 -4.08 117.98 117.95 2bbu s PHE 39 Ca -0.13 -0.39 -0.12 0.00 -1.04 0.00 0.00 56.93 55.24 2bbu s PHE 39 Cb -0.09 -1.18 0.02 0.00 -1.21 0.00 0.00 43.02 40.56 2bbu s PHE 39 CO -0.01 0.28 0.31 -0.48 -1.34 0.00 0.00 175.22 173.98 2bbu s LEU 40 N -1.93 0.87 0.04 -1.99 2.34 -1.24 -2.91 118.68 113.86 2bbu s LEU 40 Ca 0.11 -0.52 0.06 0.00 0.06 0.00 0.00 54.13 53.84 2bbu s LEU 40 Cb -0.10 1.46 -0.03 0.00 -0.56 0.00 0.00 46.19 46.95 2bbu s LEU 40 CO 0.05 -0.81 -0.12 -0.51 -1.06 0.00 0.00 176.35 173.90 2bbu s ILE 41 N -3.85 3.24 0.12 1.48 2.07 -1.26 -3.22 121.20 119.78 2bbu s ILE 41 Ca 0.05 -1.03 0.07 0.00 -1.41 0.00 0.00 60.65 58.33 2bbu s ILE 41 Cb 0.03 -2.41 -0.04 0.00 0.13 0.00 0.00 42.46 40.17 2bbu s ILE 41 CO -0.10 0.32 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.58 2bbu s ARG 42 N -1.56 2.21 -0.10 3.50 3.00 0.24 -1.79 118.95 124.45 2bbu s ARG 42 Ca 0.17 -1.05 -0.15 0.00 -1.00 0.00 0.00 55.73 53.70 2bbu s ARG 42 Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 34.95 32.47 2bbu s ARG 42 CO 0.08 0.49 0.37 0.34 0.00 0.00 0.00 175.30 176.58 2bbu s ASP 43 N -2.41 6.61 0.15 -2.12 2.15 -1.15 -0.71 116.67 119.18 2bbu s ASP 43 Ca 0.23 0.73 0.00 0.00 0.43 0.00 0.00 52.55 53.94 2bbu s ASP 43 Cb -0.11 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2bbu s ASP 43 CO 0.15 0.16 0.00 -1.20 -0.17 0.00 0.00 175.17 174.11 2bbu n SER 44 N 2.97 -3.82 0.00 -0.34 7.64 0.39 -4.81 113.62 115.65 2bbu n SER 44 Ca -0.12 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2bbu n SER 44 Cb 0.52 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2bbu n SER 44 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2bbu n SER 45 N -0.63 0.00 0.00 6.43 2.88 -1.24 -4.62 113.62 116.45 2bbu n SER 45 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bbu n SER 45 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2bbu n SER 45 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2bbu n ASP 46 N -1.89 0.21 -0.43 -3.46 8.00 -1.26 -4.72 116.55 113.00 2bbu n ASP 46 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 2bbu n ASP 46 Cb 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.00 1.41 0.12 -1.24 7.27 -1.26 -3.83 117.38 119.85 2bbu n GLN 47 Ca 0.00 -0.87 0.13 0.00 0.07 0.00 0.00 57.00 56.33 2bbu n GLN 47 Cb 0.00 -1.48 0.40 0.00 2.41 0.00 0.00 30.24 31.57 2bbu n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bbu h ARG 48 N 2.11 0.00 -4.15 3.69 3.08 -2.04 -3.49 114.38 113.59 2bbu h ARG 48 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bbu h ARG 48 Cb 0.54 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 2bbu h ARG 48 CO 0.00 0.00 -0.88 1.58 -1.07 0.00 0.00 179.97 179.60 2bbu n HIS 49 N -2.33 -2.57 -4.02 3.04 -0.00 -1.25 -4.47 115.22 103.63 2bbu n HIS 49 Ca 0.05 1.45 0.03 0.00 0.46 0.00 0.00 57.72 59.71 2bbu n HIS 49 Cb 0.41 -2.92 0.01 0.00 -0.12 0.00 0.00 29.99 27.37 2bbu n HIS 49 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2bbu n PHE 50 N 0.90 -0.05 -4.33 1.57 1.16 -1.26 -4.14 117.46 111.31 2bbu n PHE 50 Ca -0.21 -0.36 -0.26 0.00 -1.87 0.00 0.00 57.45 54.74 2bbu n PHE 50 Cb 0.33 0.15 -0.10 0.00 -1.61 0.00 0.00 39.48 38.26 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 2bbu s PHE 51 N -2.06 2.55 0.10 2.97 -0.12 -1.26 0.15 117.98 120.31 2bbu s PHE 51 Ca 0.22 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.92 2bbu s PHE 51 Cb -0.00 -1.23 -0.03 0.00 -0.63 0.00 0.00 43.02 41.13 2bbu s PHE 51 CO -0.02 0.53 -0.19 0.99 -0.05 0.00 0.00 175.22 176.48 2bbu s THR 52 N -1.80 1.62 -0.02 -4.49 2.01 0.11 -4.31 115.64 108.77 2bbu s THR 52 Ca 0.25 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.70 2bbu s THR 52 Cb -0.08 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.94 2bbu s THR 52 CO 0.14 -0.12 0.02 -0.22 -0.69 0.00 0.00 174.62 173.75 2bbu s LEU 53 N -1.98 1.20 0.03 4.42 0.20 -0.93 0.82 118.68 122.45 2bbu s LEU 53 Ca 0.06 0.01 -0.00 0.00 0.69 0.00 0.00 54.13 54.89 2bbu s LEU 53 Cb -0.09 -0.11 -0.03 0.00 -0.43 0.00 0.00 46.19 45.53 2bbu s LEU 53 CO 0.04 -0.11 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.52 2bbu s SER 54 N 0.94 0.39 0.37 3.68 0.01 -1.20 -2.65 113.70 115.24 2bbu s SER 54 Ca -0.08 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.50 2bbu s SER 54 Cb -0.12 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2bbu s SER 54 CO -0.02 -0.42 0.09 0.54 0.41 0.00 0.00 173.24 173.84 2bbu s VAL 55 N -2.46 0.86 -0.07 3.43 0.11 -1.25 -3.68 120.40 117.35 2bbu s VAL 55 Ca -0.06 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.00 2bbu s VAL 55 Cb -0.03 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2bbu s VAL 55 CO -0.04 0.00 -0.09 -0.75 -3.33 0.00 0.00 175.10 170.88 2bbu s LYS 56 N -3.81 2.74 -0.08 1.54 2.36 -1.26 -3.74 119.74 117.49 2bbu s LYS 56 Ca 0.29 -0.60 -0.30 0.00 -2.55 0.00 0.00 55.97 52.81 2bbu s LYS 56 Cb 0.05 -2.54 0.07 0.00 -1.05 0.00 0.00 37.83 34.37 2bbu s LYS 56 CO 0.14 0.61 0.70 0.99 1.55 0.00 0.00 175.35 179.34 2bbu s THR 57 N -0.68 0.00 0.58 3.43 2.01 -1.26 -4.10 115.64 115.62 2bbu s THR 57 Ca 0.10 0.00 0.37 0.00 0.31 0.00 0.00 61.69 62.47 2bbu s THR 57 Cb -0.11 -1.00 0.54 0.00 0.01 0.00 0.00 72.50 71.94 2bbu s THR 57 CO 0.01 0.00 1.51 0.06 -0.69 0.00 0.00 174.62 175.51 2bbu h GLN 58 N 3.19 0.00 0.23 4.92 3.07 -1.99 0.30 115.11 124.83 2bbu h GLN 58 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.46 2bbu h GLN 58 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 2bbu h GLN 58 CO 0.35 0.00 -0.11 0.66 0.09 0.00 0.00 178.83 179.82 2bbu h SER 59 N 0.00 -0.26 -0.18 0.06 4.64 -1.94 -3.49 113.55 112.38 2bbu h SER 59 Ca 0.65 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2bbu h SER 59 Cb 3.05 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 65.21 2bbu h SER 59 CO -0.01 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2bbu n GLY 60 N -0.27 3.78 3.71 -0.77 0.00 0.10 -5.11 105.19 106.64 2bbu n GLY 60 Ca -0.09 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 61 N -1.65 4.94 -0.02 2.61 2.01 -1.26 -4.32 115.64 117.94 2bbu s THR 61 Ca 0.00 1.75 -0.03 0.00 0.31 0.00 0.00 61.69 63.72 2bbu s THR 61 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.34 2bbu s THR 61 CO 0.00 0.18 0.07 -1.59 -0.69 0.00 0.00 174.62 172.59 2bbu s LYS 62 N 1.10 0.11 -0.04 4.92 0.00 -1.25 -5.02 119.74 119.56 2bbu s LYS 62 Ca 0.44 0.05 0.02 0.00 0.00 0.00 0.00 55.97 56.48 2bbu s LYS 62 Cb -0.19 0.05 -0.03 0.00 0.00 0.00 0.00 37.83 37.66 2bbu s LYS 62 CO 0.21 -0.02 -0.08 -0.80 0.00 0.00 0.00 175.35 174.67 2bbu s ASN 63 N -0.10 4.56 0.04 0.03 0.01 -1.26 -3.74 114.94 114.48 2bbu s ASN 63 Ca -0.01 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 2bbu s ASN 63 Cb -0.01 -1.10 -0.03 0.00 0.41 0.00 0.00 41.25 40.52 2bbu s ASN 63 CO 0.00 0.34 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.12 2bbu s LEU 64 N -1.00 2.31 0.33 0.60 1.02 -1.09 -4.96 118.68 115.90 2bbu s LEU 64 Ca 0.14 -0.64 0.09 0.00 0.02 0.00 0.00 54.13 53.74 2bbu s LEU 64 Cb -0.11 0.00 -0.06 0.00 0.02 0.00 0.00 46.19 46.04 2bbu s LEU 64 CO 0.03 -0.33 -0.09 0.00 0.02 0.00 0.00 176.35 175.99 2bbu s ARG 65 N -2.09 1.77 0.05 1.70 1.70 -1.26 -2.18 118.95 118.64 2bbu s ARG 65 Ca -0.08 -1.91 -0.30 0.00 -0.47 0.00 0.00 55.73 52.97 2bbu s ARG 65 Cb -0.06 -1.60 -0.05 0.00 -0.57 0.00 0.00 34.95 32.67 2bbu s ARG 65 CO -0.02 0.12 1.04 -1.50 -1.08 0.00 0.00 175.30 173.86 2bbu s ILE 66 N -2.69 4.51 -0.08 4.99 1.10 -1.26 -4.86 121.20 122.91 2bbu s ILE 66 Ca 0.32 1.87 -0.09 0.00 -0.51 0.00 0.00 60.65 62.24 2bbu s ILE 66 Cb 0.03 -4.20 -0.05 0.00 0.15 0.00 0.00 42.46 38.40 2bbu s ILE 66 CO 0.16 0.18 0.23 -1.58 -2.11 0.00 0.00 174.94 171.82 2bbu s GLN 67 N 0.74 3.59 -0.15 3.50 0.74 -1.17 -4.95 119.66 121.96 2bbu s GLN 67 Ca 0.53 0.03 -0.18 0.00 0.05 0.00 0.00 55.36 55.79 2bbu s GLN 67 Cb -0.24 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 2bbu s GLN 67 CO 0.29 0.74 0.47 0.00 -0.55 0.00 0.00 175.29 176.24 2bbu s GLU 69 N 0.93 0.72 -0.92 0.00 2.12 0.14 -4.89 118.70 116.81 2bbu s GLU 69 Ca 0.24 -0.78 -0.06 0.00 0.36 0.00 0.00 54.97 54.73 2bbu s GLU 69 Cb -0.15 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 2bbu s GLU 69 CO 0.09 -0.83 0.76 0.41 -0.54 0.00 0.00 175.26 175.15 2bbu n GLY 70 N 4.94 -1.18 2.17 -1.50 0.00 -1.26 -1.04 105.19 107.32 2bbu n GLY 70 Ca -0.06 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.62 0.54 3.37 -0.02 0.00 -1.26 -4.92 105.19 101.29 2bbu n GLY 71 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2bbu n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbu s SER 72 N -2.07 2.89 -0.09 1.61 0.01 -0.21 -4.67 113.70 111.17 2bbu s SER 72 Ca 0.00 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.34 2bbu s SER 72 Cb 0.00 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.05 2bbu s SER 72 CO 0.00 -0.05 -0.18 -0.36 0.41 0.00 0.00 173.24 173.06 2bbu s PHE 73 N -2.42 2.05 -0.19 2.43 0.40 -1.19 0.25 117.98 119.30 2bbu s PHE 73 Ca 0.21 -0.85 -0.17 0.00 -0.60 0.00 0.00 56.93 55.52 2bbu s PHE 73 Cb -0.04 -1.42 0.05 0.00 0.51 0.00 0.00 43.02 42.12 2bbu s PHE 73 CO 0.09 -0.39 0.50 0.45 0.70 0.00 0.00 175.22 176.57 2bbu s SER 74 N 0.60 -0.54 -0.00 1.36 0.15 -1.07 -4.13 113.70 110.07 2bbu s SER 74 Ca -0.14 1.02 0.04 0.00 0.70 0.00 0.00 55.95 57.56 2bbu s SER 74 Cb -0.16 1.02 -0.06 0.00 -1.71 0.00 0.00 66.02 65.11 2bbu s SER 74 CO 0.05 -0.18 0.11 -0.11 1.20 0.00 0.00 173.24 174.30 2bbu n LEU 75 N 2.95 0.04 -3.65 3.45 0.00 -1.26 -3.05 117.00 115.48 2bbu n LEU 75 Ca -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 56.01 55.73 2bbu n LEU 75 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.92 2bbu n LEU 75 CO 0.09 0.01 1.16 0.00 0.00 0.00 0.00 177.39 178.66 2bbu s GLN 76 N -2.08 0.06 0.55 1.96 1.03 -1.26 -5.01 119.66 114.91 2bbu s GLN 76 Ca -0.01 0.07 0.00 0.00 0.04 0.00 0.00 55.36 55.46 2bbu s GLN 76 Cb 0.03 0.03 0.00 0.00 0.03 0.00 0.00 33.01 33.10 2bbu s GLN 76 CO 0.17 -0.01 0.00 0.45 -2.54 0.00 0.00 175.29 173.36 2bbu n SER 77 N 1.47 -9.07 -4.09 12.60 2.88 -1.26 -4.91 113.62 111.24 2bbu n SER 77 Ca -0.09 1.32 -0.32 0.00 -1.33 0.00 0.00 58.87 58.44 2bbu n SER 77 Cb 0.57 -5.14 -0.15 0.00 -0.75 0.00 0.00 64.21 58.74 2bbu n SER 77 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bbu s ASP 78 N -3.45 3.95 -0.85 -3.46 -1.08 -1.26 -4.86 116.67 105.67 2bbu s ASP 78 Ca 0.00 -1.12 -0.06 0.00 -0.52 0.00 0.00 52.55 50.85 2bbu s ASP 78 Cb 0.00 -1.52 -0.08 0.00 -1.46 0.00 0.00 42.92 39.85 2bbu s ASP 78 CO 0.00 -0.12 2.36 -0.81 0.52 0.00 0.00 175.17 177.12 2bbu n PRO 79 N 4.50 2.21 -0.45 4.34 -0.04 -1.26 -4.51 135.00 139.79 2bbu n PRO 79 Ca -0.17 -1.42 0.03 0.00 -0.04 0.00 0.00 63.50 61.91 2bbu n PRO 79 Cb 0.45 -2.38 0.20 0.00 -0.04 0.00 0.00 33.50 31.73 2bbu n PRO 79 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2bbu n ARG 80 N 3.77 2.96 -4.93 0.54 -4.01 -1.26 -4.47 116.66 109.26 2bbu n ARG 80 Ca 0.47 -1.58 -0.33 0.00 -1.04 0.00 0.00 57.85 55.37 2bbu n ARG 80 Cb 0.25 -1.89 -0.14 0.00 -3.04 0.00 0.00 32.46 27.64 2bbu n ARG 80 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2bbu s SER 81 N -0.39 3.80 -1.82 2.89 1.04 -1.26 -4.65 113.70 113.31 2bbu s SER 81 Ca 0.27 -0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 2bbu s SER 81 Cb 0.21 -1.16 0.21 0.00 0.10 0.00 0.00 66.02 65.38 2bbu s SER 81 CO 0.08 0.25 0.65 0.35 0.98 0.00 0.00 173.24 175.55 2bbu n THR 82 N 2.94 -0.39 -4.41 2.02 -2.24 -1.26 -4.89 114.28 106.05 2bbu n THR 82 Ca -0.18 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 2bbu n THR 82 Cb 0.52 -0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 67.74 2bbu n THR 82 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2bbu s GLN 83 N -7.14 1.80 -0.05 -0.78 1.11 -1.26 -5.08 119.66 108.26 2bbu s GLN 83 Ca 0.78 -2.06 -0.17 0.00 0.01 0.00 0.00 55.36 53.92 2bbu s GLN 83 Cb -0.45 -0.25 -0.11 0.00 -1.01 0.00 0.00 33.01 31.20 2bbu s GLN 83 CO 0.99 -0.51 0.70 -1.00 0.01 0.00 0.00 175.29 175.48 2bbu h PRO 84 N 1.99 -0.35 -3.64 2.91 0.13 -1.90 -3.48 132.00 127.66 2bbu h PRO 84 Ca -0.32 0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 2bbu h PRO 84 Cb 1.26 0.08 -0.19 0.00 0.13 0.00 0.00 31.00 32.28 2bbu h PRO 84 CO 0.51 -0.07 -0.48 0.14 -0.23 0.00 0.00 178.00 177.87 2bbu s VAL 85 N -3.26 0.11 0.56 1.56 -7.23 -1.26 -5.13 120.40 105.76 2bbu s VAL 85 Ca -0.10 -0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 58.99 2bbu s VAL 85 Cb 0.01 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 2bbu s VAL 85 CO 0.33 -0.50 1.08 -2.16 -0.31 0.00 0.00 175.10 173.54 2bbu s PRO 86 N -2.19 3.37 0.00 4.82 0.04 -1.26 -3.45 135.00 136.32 2bbu s PRO 86 Ca -0.08 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2bbu s PRO 86 Cb -0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2bbu s PRO 86 CO -0.02 -0.80 0.00 0.54 0.04 0.00 0.00 177.00 176.76 2bbu n ARG 87 N -1.61 0.00 -1.83 4.56 1.74 -1.26 -4.64 116.66 113.61 2bbu n ARG 87 Ca 0.10 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.16 2bbu n ARG 87 Cb 0.52 -0.09 -0.01 0.00 -1.02 0.00 0.00 32.46 31.86 2bbu n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2bbu n PHE 88 N 0.00 -2.00 -2.24 -1.55 7.35 -1.22 -4.32 117.46 113.48 2bbu n PHE 88 Ca 0.00 1.18 -0.43 0.00 -0.76 0.00 0.00 57.45 57.44 2bbu n PHE 88 Cb 0.00 -2.64 -0.02 0.00 0.35 0.00 0.00 39.48 37.16 2bbu n PHE 88 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2bbu s ASP 89 N -0.28 6.15 0.00 -2.13 2.15 -1.26 -3.15 116.67 118.15 2bbu s ASP 89 Ca -0.08 0.90 0.00 0.00 0.43 0.00 0.00 52.55 53.80 2bbu s ASP 89 Cb 0.01 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2bbu s ASP 89 CO 0.22 -1.57 0.00 0.00 -0.17 0.00 0.00 175.17 173.65 2bbu h VAL 91 N 0.00 0.24 -0.89 0.00 2.07 -1.87 0.51 116.25 116.31 2bbu h VAL 91 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2bbu h VAL 91 Cb 0.00 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2bbu h VAL 91 CO 0.00 0.00 0.58 0.25 0.02 0.00 0.00 177.57 178.42 2bbu h LEU 92 N 0.00 0.80 -0.96 2.57 6.46 -1.93 -1.14 115.31 121.12 2bbu h LEU 92 Ca 0.25 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.07 2bbu h LEU 92 Cb 1.52 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 41.25 2bbu h LEU 92 CO -0.00 0.47 0.62 0.50 -0.62 0.00 0.00 178.44 179.41 2bbu h LYS 93 N 0.89 1.17 -0.26 1.25 1.63 -1.18 -1.85 116.57 118.21 2bbu h LYS 93 Ca 0.41 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 60.03 2bbu h LYS 93 Cb 0.40 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2bbu h LYS 93 CO -0.18 0.77 -0.30 1.37 -3.45 0.00 0.00 179.45 177.66 2bbu h LEU 94 N 1.20 0.56 -1.24 5.20 8.10 -1.37 -2.93 115.31 124.84 2bbu h LEU 94 Ca 0.38 -0.21 0.11 0.00 0.11 0.00 0.00 57.88 58.27 2bbu h LEU 94 Cb 0.01 -0.15 -0.06 0.00 -0.44 0.00 0.00 40.66 40.02 2bbu h LEU 94 CO -0.13 0.83 0.57 0.58 -4.11 0.00 0.00 178.44 176.19 2bbu h VAL 95 N 0.47 0.93 -0.82 0.15 2.07 -0.89 -0.54 116.25 117.61 2bbu h VAL 95 Ca 0.06 -0.28 0.14 0.00 0.82 0.00 0.00 66.70 67.44 2bbu h VAL 95 Cb 0.76 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2bbu h VAL 95 CO 0.06 0.15 0.54 0.45 0.02 0.00 0.00 177.57 178.79 2bbu h HIS 96 N 0.81 0.66 0.12 1.57 3.86 -1.40 -0.69 115.15 120.07 2bbu h HIS 96 Ca 0.42 0.02 -0.25 0.00 -1.16 0.00 0.00 60.37 59.39 2bbu h HIS 96 Cb 0.50 -0.21 0.03 0.00 1.06 0.00 0.00 27.41 28.78 2bbu h HIS 96 CO -0.00 0.25 -1.05 1.12 0.86 0.00 0.00 177.93 179.10 2bbu h HIS 97 N 0.56 0.84 0.00 2.45 2.07 -1.24 -3.21 115.15 116.61 2bbu h HIS 97 Ca 0.41 -0.54 -0.01 0.00 -2.85 0.00 0.00 60.37 57.38 2bbu h HIS 97 Cb 0.77 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.69 2bbu h HIS 97 CO -0.00 1.39 -0.05 1.88 -3.07 0.00 0.00 177.93 178.08 2bbu h TYR 98 N 0.05 0.00 -2.53 6.12 0.05 -1.00 -3.42 116.97 116.24 2bbu h TYR 98 Ca -0.16 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.10 2bbu h TYR 98 Cb 1.77 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 39.37 2bbu h TYR 98 CO 0.14 0.05 -0.68 -1.64 -1.05 0.00 0.00 178.16 174.98 2bbu s MET 99 N -4.06 1.58 1.04 4.88 -1.94 -0.34 -4.60 119.30 115.87 2bbu s MET 99 Ca -0.02 -1.80 -0.16 0.00 -1.71 0.00 0.00 55.69 52.00 2bbu s MET 99 Cb 0.12 -1.27 0.21 0.00 2.01 0.00 0.00 34.83 35.90 2bbu s MET 99 CO 0.52 0.08 1.16 -1.25 -0.01 0.00 0.00 175.02 175.52 2bbu s PRO 100 N -3.69 0.04 0.90 2.03 0.04 -1.14 -4.72 135.00 128.45 2bbu s PRO 100 Ca 0.29 0.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 2bbu s PRO 100 Cb 0.03 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.96 2bbu s PRO 100 CO 0.12 -2.89 1.10 -1.25 0.04 0.00 0.00 177.00 174.12 2bbu s PRO 101 N -5.40 1.27 -0.45 0.56 0.04 -1.26 -4.93 135.00 124.83 2bbu s PRO 101 Ca 0.69 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2bbu s PRO 101 Cb -0.11 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 2bbu s PRO 101 CO 0.55 -2.18 1.59 -1.25 0.04 0.00 0.00 177.00 175.75 2bbu s PRO 102 N -5.06 3.31 0.00 0.56 0.04 -1.26 -4.76 135.00 127.83 2bbu s PRO 102 Ca 0.63 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2bbu s PRO 102 Cb -0.17 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2bbu s PRO 102 CO 0.56 -1.90 0.43 0.41 0.04 0.00 0.00 177.00 176.54 2bbu n GLY 103 N 5.31 -0.27 3.24 0.56 0.00 -1.26 -5.05 105.19 107.73 2bbu n GLY 103 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bbu s THR 104 N -0.14 1.26 0.00 2.61 -1.32 -1.26 -5.09 115.64 111.70 2bbu s THR 104 Ca 0.00 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.62 2bbu s THR 104 Cb 0.00 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 2bbu s THR 104 CO 0.00 -0.56 0.32 -0.81 -2.21 0.00 0.00 174.62 171.36 2bbu n PRO 105 N 0.22 0.00 0.00 7.08 -0.04 -1.26 -4.92 135.00 136.07 2bbu n PRO 105 Ca -0.13 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2bbu n PRO 105 Cb 0.59 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 2bbu n PRO 105 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu n SER 106 N -1.48 0.00 -3.65 3.54 2.88 -1.26 -4.35 113.62 109.30 2bbu n SER 106 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2bbu n SER 106 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2bbu n SER 106 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2bbu s PHE 107 N 0.00 0.98 0.30 0.66 5.36 -1.26 -5.12 117.98 118.89 2bbu s PHE 107 Ca 0.00 -1.21 0.04 0.00 -0.96 0.00 0.00 56.93 54.80 2bbu s PHE 107 Cb 0.00 -1.25 -0.03 0.00 -0.34 0.00 0.00 43.02 41.40 2bbu s PHE 107 CO 0.00 -0.81 0.25 0.45 -1.46 0.00 0.00 175.22 173.65 2bbu s SER 108 N 1.87 1.20 -0.18 6.13 0.15 -1.26 -5.01 113.70 116.59 2bbu s SER 108 Ca 0.08 -1.63 -0.01 0.00 0.70 0.00 0.00 55.95 55.09 2bbu s SER 108 Cb -0.17 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2bbu s SER 108 CO -0.27 -1.02 0.01 -0.11 1.20 0.00 0.00 173.24 173.05 2bbu n LEU 109 N -0.52 -6.26 -4.78 3.45 7.94 -1.26 -4.91 117.00 110.66 2bbu n LEU 109 Ca 0.06 1.11 -0.35 0.00 -1.11 0.00 0.00 56.01 55.71 2bbu n LEU 109 Cb 0.63 -2.67 -0.02 0.00 0.53 0.00 0.00 43.42 41.89 2bbu n LEU 109 CO 0.32 -2.63 0.76 -2.16 -1.11 0.00 0.00 177.39 172.57 2bbu s PRO 110 N -1.31 3.79 -1.19 1.96 0.04 -1.26 -4.91 135.00 132.12 2bbu s PRO 110 Ca -0.02 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 2bbu s PRO 110 Cb 0.00 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2bbu s PRO 110 CO 0.49 -0.47 1.89 -0.35 0.04 0.00 0.00 177.00 178.60 2bbu n PRO 111 N -0.72 2.09 -3.53 0.56 -0.04 -1.26 -4.84 135.00 127.26 2bbu n PRO 111 Ca 0.08 -2.65 -0.15 0.00 -0.04 0.00 0.00 63.50 60.75 2bbu n PRO 111 Cb 0.51 -3.58 -0.05 0.00 -0.04 0.00 0.00 33.50 30.33 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 8.32 0.00 0.46 0.52 -1.32 -1.26 -5.13 115.64 117.23 2bbu s THR 112 Ca 0.63 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 2bbu s THR 112 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 2bbu s THR 112 CO 0.11 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.73 2bbu n GLU 113 N 0.71 -4.19 -2.30 7.08 4.07 -1.26 -4.75 120.64 120.00 2bbu n GLU 113 Ca -0.15 3.11 -0.43 0.00 -0.06 0.00 0.00 57.16 59.63 2bbu n GLU 113 Cb 0.58 -3.49 -0.02 0.00 -0.06 0.00 0.00 31.44 28.44 2bbu n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2bbu s PRO 114 N -3.80 3.97 0.16 5.31 0.04 -1.26 -5.01 135.00 134.41 2bbu s PRO 114 Ca 0.00 1.54 0.11 0.00 0.04 0.00 0.00 61.00 62.69 2bbu s PRO 114 Cb 0.00 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2bbu s PRO 114 CO 0.00 -1.05 -0.24 -1.12 0.04 0.00 0.00 177.00 174.63 2bbu s SER 115 N 3.08 3.22 0.00 6.66 0.01 -1.26 -4.92 113.70 120.48 2bbu s SER 115 Ca 0.62 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2bbu s SER 115 Cb -0.22 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.79 2bbu s SER 115 CO 0.23 0.11 0.00 -1.20 0.41 0.00 0.00 173.24 172.80 2bbu n SER 116 N 0.55 0.00 -3.66 2.44 7.64 -1.26 -4.43 113.62 114.89 2bbu n SER 116 Ca -0.15 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.60 2bbu n SER 116 Cb 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 2bbu n SER 116 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2bbu s GLU 117 N 0.00 0.69 -0.64 1.43 -6.30 -1.26 -5.08 118.70 107.53 2bbu s GLU 117 Ca 0.00 0.89 -0.34 0.00 -2.50 0.00 0.00 54.97 53.02 2bbu s GLU 117 Cb 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 34.13 34.26 2bbu s GLU 117 CO 0.00 -0.10 2.40 0.28 0.02 0.00 0.00 175.26 177.87 2bbu n VAL 118 N 3.06 0.03 -2.38 3.70 0.31 -1.26 -4.84 118.33 116.95 2bbu n VAL 118 Ca -0.15 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 2bbu n VAL 118 Cb 0.56 -1.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.30 2bbu n VAL 118 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bbu s PRO 119 N 7.53 4.46 0.00 5.55 0.04 -1.26 -4.99 135.00 146.33 2bbu s PRO 119 Ca 1.20 1.84 0.00 0.00 0.04 0.00 0.00 61.00 64.08 2bbu s PRO 119 Cb -1.03 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2bbu s PRO 119 CO 0.49 -0.18 0.00 0.39 0.04 0.00 0.00 177.00 177.74 2bbu n GLU 120 N 3.18 2.45 0.27 4.56 4.71 -1.26 -5.04 120.64 129.51 2bbu n GLU 120 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.07 2bbu n GLU 120 Cb 0.45 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.80 2bbu n GLU 120 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2bbu h GLN 121 N 0.00 -0.67 -7.50 3.49 4.20 -2.05 -3.44 115.11 109.14 2bbu h GLN 121 Ca 0.00 0.05 -0.44 0.00 0.06 0.00 0.00 58.65 58.31 2bbu h GLN 121 Cb 0.00 0.15 0.16 0.00 0.30 0.00 0.00 27.48 28.09 2bbu h GLN 121 CO 0.00 -0.37 0.25 -1.25 -0.67 0.00 0.00 178.83 176.79 2bbu s PRO 122 N -5.18 0.14 0.65 1.46 0.04 -1.26 -5.02 135.00 125.82 2bbu s PRO 122 Ca -0.15 0.08 -0.14 0.00 0.04 0.00 0.00 61.00 60.82 2bbu s PRO 122 Cb 0.03 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2bbu s PRO 122 CO 0.55 -2.83 1.07 -1.25 0.04 0.00 0.00 177.00 174.58 2bbu s PRO 123 N -5.38 3.02 0.00 0.56 0.04 -1.26 -4.85 135.00 127.12 2bbu s PRO 123 Ca 0.68 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2bbu s PRO 123 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2bbu s PRO 123 CO 0.55 -1.05 0.00 0.00 0.04 0.00 0.00 177.00 176.54 2bbu n ALA 124 N -2.49 0.00 0.18 8.56 0.00 -1.26 -4.94 120.51 120.56 2bbu n ALA 124 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2bbu n ALA 124 Cb 0.53 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.62 2bbu n ALA 124 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2bbu h GLN 125 N 0.00 0.00 -1.11 0.00 1.08 -1.92 -3.44 115.11 109.72 2bbu h GLN 125 Ca 0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 2bbu h GLN 125 Cb 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 2bbu h GLN 125 CO 0.00 0.00 -0.29 0.00 -0.95 0.00 0.00 178.83 177.59 2bbu n ALA 126 N -1.80 -0.28 -1.49 3.87 0.00 -1.26 -4.58 120.51 114.98 2bbu n ALA 126 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2bbu n ALA 126 Cb 0.05 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2bbu n ALA 126 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bbu n LEU 127 N -1.72 -5.10 0.00 0.00 4.32 -1.26 -4.67 117.00 108.57 2bbu n LEU 127 Ca -0.15 2.63 0.09 0.00 -0.02 0.00 0.00 56.01 58.57 2bbu n LEU 127 Cb 0.51 -2.35 0.45 0.00 -1.62 0.00 0.00 43.42 40.41 2bbu n LEU 127 CO 0.21 -0.39 0.80 -0.81 -1.22 0.00 0.00 177.39 175.98 2bbu n PRO 128 N 0.14 0.14 -1.54 3.23 -0.04 -1.26 -4.67 135.00 131.00 2bbu n PRO 128 Ca 0.00 0.14 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2bbu n PRO 128 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.43 -0.23 2.57 0.55 0.00 -1.26 -4.64 105.19 102.61 2bbu n GLY 129 Ca 0.07 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 16.64 -1.65 -4.70 1.61 7.64 -1.26 -5.11 113.62 126.79 2bbu n SER 130 Ca 0.49 -3.29 -0.42 0.00 1.01 0.00 0.00 58.87 56.66 2bbu n SER 130 Cb 0.39 1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 2bbu n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2bbu s THR 131 N -0.22 2.90 -0.03 0.44 -4.23 -1.26 -4.93 115.64 108.30 2bbu s THR 131 Ca 0.31 0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2bbu s THR 131 Cb 0.26 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 2bbu s THR 131 CO -0.14 0.01 0.40 1.55 -0.54 0.00 0.00 174.62 175.90 2bbu h PRO 132 N 8.03 -0.25 0.00 3.99 0.13 -1.99 -3.47 132.00 138.45 2bbu h PRO 132 Ca -0.43 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2bbu h PRO 132 Cb 1.20 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 2bbu h PRO 132 CO 0.93 -0.16 0.03 1.17 -0.23 0.00 0.00 178.00 179.73 2bbu n LYS 133 N -3.94 0.08 -1.73 0.86 4.81 -1.26 -5.13 118.16 111.85 2bbu n LYS 133 Ca -0.03 -0.62 -0.42 0.00 -0.87 0.00 0.00 58.31 56.37 2bbu n LYS 133 Cb 0.10 -0.13 -0.02 0.00 0.02 0.00 0.00 35.03 35.00 2bbu n LYS 133 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2bbu n ARG 134 N 1.20 2.69 0.00 1.64 5.12 -1.26 -4.88 116.66 121.17 2bbu n ARG 134 Ca -0.01 0.96 0.00 0.00 -1.93 0.00 0.00 57.85 56.87 2bbu n ARG 134 Cb 0.73 -2.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.27 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bbu n ALA 135 N 2.66 0.00 -2.80 7.54 0.00 -1.26 -5.12 120.51 121.53 2bbu n ALA 135 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 2bbu n ALA 135 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 2bbu n ALA 135 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2bbu s TYR 136 N 0.00 3.24 0.22 0.00 1.13 -1.25 -4.99 117.35 115.70 2bbu s TYR 136 Ca 0.00 0.03 -0.16 0.00 -1.41 0.00 0.00 57.07 55.53 2bbu s TYR 136 Cb 0.00 -2.18 0.01 0.00 -1.10 0.00 0.00 41.96 38.69 2bbu s TYR 136 CO 0.00 0.01 0.51 1.52 -2.51 0.00 0.00 175.55 175.08 2bbu s TYR 137 N 0.90 0.09 0.05 -3.49 -0.85 -1.26 -3.25 117.35 109.53 2bbu s TYR 137 Ca 0.05 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 2bbu s TYR 137 Cb -0.13 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 2bbu s TYR 137 CO 0.03 -0.97 0.17 0.42 -1.52 0.00 0.00 175.55 173.68 2bbu s ILE 138 N -3.94 5.15 -0.16 -3.49 1.01 -0.81 -4.89 121.20 114.07 2bbu s ILE 138 Ca 0.15 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 2bbu s ILE 138 Cb -0.01 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2bbu s ILE 138 CO 0.03 0.18 0.18 -0.31 0.00 0.00 0.00 174.94 175.01 2bbu s TYR 139 N -1.43 3.48 -0.70 3.97 1.51 -1.26 -0.62 117.35 122.29 2bbu s TYR 139 Ca 0.32 0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 56.81 2bbu s TYR 139 Cb -0.13 -2.15 0.28 0.00 -0.11 0.00 0.00 41.96 39.85 2bbu s TYR 139 CO 0.24 0.40 2.23 0.45 -1.11 0.00 0.00 175.55 177.76 2bbu n SER 140 N 3.09 7.23 -3.00 2.29 2.88 0.86 -4.88 113.62 122.09 2bbu n SER 140 Ca -0.16 -3.63 -0.13 0.00 -1.33 0.00 0.00 58.87 53.62 2bbu n SER 140 Cb 0.53 -1.10 0.01 0.00 -0.75 0.00 0.00 64.21 62.90 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 141 N -0.17 -1.47 1.08 0.46 0.00 -1.26 -3.40 105.19 100.43 2bbu n GLY 141 Ca 0.53 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.53 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 0.06 3.26 3.21 -0.02 0.00 -1.26 -5.00 105.19 105.43 2bbu n GLY 142 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2bbu n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bbu s GLU 143 N -0.58 3.15 -0.53 1.61 8.01 -1.22 -5.08 118.70 124.07 2bbu s GLU 143 Ca 0.00 -0.76 -0.21 0.00 0.01 0.00 0.00 54.97 54.01 2bbu s GLU 143 Cb 0.00 -2.68 0.05 0.00 -4.31 0.00 0.00 34.13 27.20 2bbu s GLU 143 CO 0.00 -0.12 0.73 -1.59 0.01 0.00 0.00 175.26 174.29 2bbu s LYS 144 N 1.15 3.18 -0.49 1.61 -2.85 -1.26 0.29 119.74 121.38 2bbu s LYS 144 Ca 0.01 -0.71 -0.23 0.00 -1.00 0.00 0.00 55.97 54.04 2bbu s LYS 144 Cb -0.14 -4.09 0.03 0.00 -2.06 0.00 0.00 37.83 31.57 2bbu s LYS 144 CO -0.06 -1.32 0.84 0.42 0.10 0.00 0.00 175.35 175.33 2bbu s ILE 145 N 3.07 4.55 0.02 3.79 1.09 0.21 -4.95 121.20 128.98 2bbu s ILE 145 Ca 0.20 0.35 -0.30 0.00 -1.10 0.00 0.00 60.65 59.79 2bbu s ILE 145 Cb -0.17 -4.41 -0.04 0.00 -1.06 0.00 0.00 42.46 36.78 2bbu s ILE 145 CO 0.14 -0.87 1.14 -2.16 -0.10 0.00 0.00 174.94 173.08 2bbu s PRO 146 N 3.52 4.45 -0.05 2.79 0.04 -1.26 -1.91 135.00 142.57 2bbu s PRO 146 Ca 0.30 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2bbu s PRO 146 Cb -0.12 -3.43 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 2bbu s PRO 146 CO 0.21 -0.25 -0.18 -0.51 0.04 0.00 0.00 177.00 176.31 2bbu s LEU 147 N 1.33 1.92 -0.21 -3.56 1.02 -1.20 -4.81 118.68 113.17 2bbu s LEU 147 Ca 0.56 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.33 2bbu s LEU 147 Cb -0.26 -1.04 0.02 0.00 0.02 0.00 0.00 46.19 44.93 2bbu s LEU 147 CO 0.27 0.15 -0.14 0.68 0.02 0.00 0.00 176.35 177.33 2bbu s VAL 148 N 0.12 2.43 -0.35 -1.59 -7.23 -1.26 -3.84 120.40 108.68 2bbu s VAL 148 Ca -0.06 -0.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.93 2bbu s VAL 148 Cb -0.13 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 2bbu s VAL 148 CO 0.03 0.38 0.57 -0.22 -0.31 0.00 0.00 175.10 175.54 2bbu s LEU 149 N 1.30 4.31 0.00 1.32 0.20 -1.26 -4.82 118.68 119.72 2bbu s LEU 149 Ca 0.02 0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.89 2bbu s LEU 149 Cb -0.15 -2.67 0.00 0.00 -0.43 0.00 0.00 46.19 42.94 2bbu s LEU 149 CO -0.09 -0.53 0.00 -1.54 -0.29 0.00 0.00 176.35 173.91 2bbu n SER 150 N 5.87 0.37 -4.68 3.68 3.41 -1.26 -2.89 113.62 118.12 2bbu n SER 150 Ca -0.03 -0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.13 2bbu n SER 150 Cb 0.49 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.22 4.31 0.46 4.33 0.52 -1.26 -4.87 118.95 122.22 2bbu s ARG 151 Ca 0.00 0.90 -0.22 0.00 -0.52 0.00 0.00 55.73 55.89 2bbu s ARG 151 Cb 0.00 -3.55 -0.08 0.00 0.52 0.00 0.00 34.95 31.84 2bbu s ARG 151 CO 0.00 -0.23 1.08 -1.25 0.02 0.00 0.00 175.30 174.93 2bbu s PRO 152 N 1.82 3.84 0.86 3.54 0.04 -1.26 -2.93 135.00 140.91 2bbu s PRO 152 Ca 0.36 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 2bbu s PRO 152 Cb -0.17 -2.30 0.11 0.00 0.04 0.00 0.00 34.50 32.19 2bbu s PRO 152 CO 0.13 -0.43 1.16 -0.48 0.04 0.00 0.00 177.00 177.42 2bbu s LEU 153 N -3.15 2.97 0.00 -3.56 -0.00 -1.15 -4.60 118.68 109.20 2bbu s LEU 153 Ca 0.64 2.21 0.00 0.00 -0.00 0.00 0.00 54.13 56.98 2bbu s LEU 153 Cb -0.22 -4.57 0.00 0.00 -0.00 0.00 0.00 46.19 41.40 2bbu s LEU 153 CO 0.27 -2.83 0.61 -0.24 -0.00 0.00 0.00 176.35 174.15 2bbu n SER 154 N -3.82 0.00 0.00 1.48 2.88 -1.26 -4.58 113.62 108.32 2bbu n SER 154 Ca 0.12 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2bbu n SER 154 Cb 0.52 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 -1.63 0.00 -0.34 -3.46 2.88 -1.26 -5.07 113.62 104.74 2bbu n SER 155 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2bbu n SER 155 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 2bbu n SER 155 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61