#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 -0.13 -0.50 -0.32 5.03 -1.99 -2.08 116.97 116.98 2bbu h TYR 2 Ca 0.00 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2bbu h TYR 2 Cb 0.00 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 2bbu h TYR 2 CO 0.00 0.21 -0.11 1.96 -1.32 0.00 0.00 178.16 178.90 2bbu h GLN 3 N -0.48 0.96 -0.50 1.82 1.08 -1.98 -0.66 115.11 115.36 2bbu h GLN 3 Ca -0.01 -0.36 0.05 0.00 -1.45 0.00 0.00 58.65 56.87 2bbu h GLN 3 Cb 0.39 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 2bbu h GLN 3 CO 0.02 1.03 0.24 -0.07 -0.95 0.00 0.00 178.83 179.11 2bbu h LEU 4 N 0.82 0.34 -0.05 1.46 3.38 -1.99 0.22 115.31 119.49 2bbu h LEU 4 Ca 0.13 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2bbu h LEU 4 Cb 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2bbu h LEU 4 CO 0.05 0.24 -0.13 0.58 0.09 0.00 0.00 178.44 179.26 2bbu h VAL 5 N 0.48 1.44 -0.37 1.22 2.07 -1.27 -2.75 116.25 117.07 2bbu h VAL 5 Ca 0.22 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.29 2bbu h VAL 5 Cb 0.15 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2bbu h VAL 5 CO -0.17 0.41 0.25 0.58 0.02 0.00 0.00 177.57 178.66 2bbu h VAL 6 N -0.34 1.01 -0.28 2.57 2.07 -0.90 0.11 116.25 120.49 2bbu h VAL 6 Ca -0.00 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 2bbu h VAL 6 Cb 0.73 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2bbu h VAL 6 CO 0.03 0.07 -0.51 0.78 0.02 0.00 0.00 177.57 177.95 2bbu h ASN 7 N 0.36 0.87 0.01 0.57 2.35 -0.53 -2.40 115.58 116.80 2bbu h ASN 7 Ca 0.15 -0.45 -0.15 0.00 -0.55 0.00 0.00 56.30 55.31 2bbu h ASN 7 Cb 0.17 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2bbu h ASN 7 CO -0.03 1.22 -0.58 0.00 -1.65 0.00 0.00 177.43 176.38 2bbu h ALA 8 N 0.81 0.06 -0.99 -0.83 0.00 -1.01 -3.20 119.26 114.09 2bbu h ALA 8 Ca 0.02 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.42 2bbu h ALA 8 Cb 1.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2bbu h ALA 8 CO 0.11 0.33 0.65 -0.39 0.00 0.00 0.00 179.25 179.94 2bbu h VAL 9 N -0.16 1.11 -0.65 0.00 -1.51 -0.87 0.38 116.25 114.54 2bbu h VAL 9 Ca -0.07 -0.41 0.07 0.00 -1.23 0.00 0.00 66.70 65.06 2bbu h VAL 9 Cb 1.30 -0.18 -0.06 0.00 -2.13 0.00 0.00 31.29 30.22 2bbu h VAL 9 CO 0.11 0.22 0.33 0.03 -1.23 0.00 0.00 177.57 177.03 2bbu h ARG 10 N 1.18 0.58 0.12 5.19 2.47 -1.46 0.92 114.38 123.38 2bbu h ARG 10 Ca 0.42 -0.04 -0.27 0.00 -1.26 0.00 0.00 59.98 58.84 2bbu h ARG 10 Cb 0.13 -0.13 0.03 0.00 -1.65 0.00 0.00 29.97 28.35 2bbu h ARG 10 CO -0.16 0.39 -1.11 0.87 0.56 0.00 0.00 179.97 180.51 2bbu h LYS 11 N 0.60 0.54 -0.57 0.04 1.57 -1.28 -2.62 116.57 114.86 2bbu h LYS 11 Ca 0.31 -0.74 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 2bbu h LYS 11 Cb 0.26 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2bbu h LYS 11 CO -0.22 1.33 0.12 -0.07 -0.57 0.00 0.00 179.45 180.03 2bbu h LEU 12 N 0.11 0.88 -0.85 2.94 3.38 0.13 -1.21 115.31 120.69 2bbu h LEU 12 Ca -0.17 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 2bbu h LEU 12 Cb 1.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2bbu h LEU 12 CO 0.21 0.90 -0.27 1.56 0.09 0.00 0.00 178.44 180.93 2bbu h GLN 13 N 0.82 0.54 -0.02 1.13 4.20 0.78 -1.88 115.11 120.68 2bbu h GLN 13 Ca 0.17 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2bbu h GLN 13 Cb 0.38 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2bbu h GLN 13 CO 0.01 0.76 -0.02 0.93 -0.67 0.00 0.00 178.83 179.84 2bbu h GLU 14 N 0.47 0.04 -0.13 1.46 4.39 -1.19 -3.01 114.58 116.61 2bbu h GLU 14 Ca 0.06 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2bbu h GLU 14 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2bbu h GLU 14 CO 0.06 0.51 0.10 0.66 -1.16 0.00 0.00 179.01 179.18 2bbu h SER 15 N -0.43 0.00 0.00 1.42 4.64 -1.20 -3.45 113.55 114.53 2bbu h SER 15 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bbu h SER 15 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2bbu h SER 15 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2bbu n GLY 16 N -1.51 1.01 0.79 -0.77 0.00 -0.96 -4.96 105.19 98.79 2bbu n GLY 16 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2bbu n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bbu n PHE 17 N -1.98 0.00 -3.32 1.61 3.01 -0.76 -4.37 117.46 111.66 2bbu n PHE 17 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 2bbu n PHE 17 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2bbu s TYR 18 N -1.91 3.68 0.09 1.38 6.14 -0.91 -4.01 117.35 121.81 2bbu s TYR 18 Ca 0.24 1.09 0.09 0.00 0.64 0.00 0.00 57.07 59.12 2bbu s TYR 18 Cb 0.18 -2.49 -0.04 0.00 0.42 0.00 0.00 41.96 40.03 2bbu s TYR 18 CO 0.32 0.43 -0.21 -1.58 0.64 0.00 0.00 175.55 175.15 2bbu s TRP 19 N -0.40 2.48 -0.25 4.97 0.52 0.19 -4.89 118.94 121.56 2bbu s TRP 19 Ca 0.28 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.07 2bbu s TRP 19 Cb -0.17 -1.36 0.13 0.00 -1.15 0.00 0.00 33.47 30.92 2bbu s TRP 19 CO 0.15 0.31 0.36 -1.12 0.02 0.00 0.00 176.95 176.68 2bbu s SER 20 N -1.84 0.43 0.00 2.95 0.01 -1.26 -3.50 113.70 110.48 2bbu s SER 20 Ca 0.16 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2bbu s SER 20 Cb -0.10 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.15 2bbu s SER 20 CO 0.07 -0.31 0.00 0.00 0.41 0.00 0.00 173.24 173.41 2bbu n ALA 21 N 5.36 0.00 -2.97 1.44 0.00 -1.26 -5.06 120.51 118.02 2bbu n ALA 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2bbu n ALA 21 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.23 0.00 0.24 -1.26 -5.11 118.33 109.96 2bbu n VAL 22 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 2bbu n VAL 22 Cb 0.00 -0.03 0.13 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.15 2.11 0.00 3.34 2.01 -1.26 -4.80 115.64 118.19 2bbu s THR 23 Ca 0.00 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 2bbu s THR 23 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2bbu s THR 23 CO 0.00 0.00 1.04 1.23 -0.69 0.00 0.00 174.62 176.20 2bbu h GLY 24 N -1.00 -0.13 1.54 4.40 0.00 -1.80 -0.48 103.07 105.60 2bbu h GLY 24 Ca -0.41 0.05 -0.25 0.00 0.00 0.00 0.00 47.33 46.71 2bbu h GLY 24 CO 0.44 -0.05 -1.10 -1.33 0.00 0.00 0.00 176.54 174.51 2bbu h GLY 25 N -0.08 0.44 1.95 4.60 0.00 -1.90 -3.11 103.07 104.96 2bbu h GLY 25 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2bbu h GLY 25 CO 0.01 0.79 0.02 -2.09 0.00 0.00 0.00 176.54 175.27 2bbu h GLU 26 N 0.18 0.00 -0.03 4.80 4.81 -1.95 -1.69 114.58 120.69 2bbu h GLU 26 Ca -0.12 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 2bbu h GLU 26 Cb 1.77 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.15 2bbu h GLU 26 CO 0.19 0.00 -0.31 0.00 -0.73 0.00 0.00 179.01 178.16 2bbu h ALA 27 N 1.97 0.08 -0.34 2.92 0.00 -1.01 -3.27 119.26 119.62 2bbu h ALA 27 Ca 0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2bbu h ALA 27 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bbu h ALA 27 CO -0.00 0.15 -0.26 -2.95 0.00 0.00 0.00 179.25 176.19 2bbu h ASN 28 N -0.29 0.70 -0.41 0.00 7.08 -1.42 -2.95 115.58 118.29 2bbu h ASN 28 Ca -0.03 -0.26 0.06 0.00 -3.08 0.00 0.00 56.30 53.00 2bbu h ASN 28 Cb 1.00 -0.19 -0.02 0.00 -2.08 0.00 0.00 38.32 37.03 2bbu h ASN 28 CO 0.06 0.93 0.28 -0.07 -2.08 0.00 0.00 177.43 176.55 2bbu h LEU 29 N 0.59 0.25 -2.28 6.14 4.07 -1.41 0.24 115.31 122.90 2bbu h LEU 29 Ca 0.08 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.08 2bbu h LEU 29 Cb 0.75 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2bbu h LEU 29 CO 0.06 0.16 0.21 0.17 -1.08 0.00 0.00 178.44 177.96 2bbu h LEU 30 N 0.28 0.00 -0.94 1.67 8.10 -1.57 0.45 115.31 123.31 2bbu h LEU 30 Ca 0.18 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.07 2bbu h LEU 30 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 2bbu h LEU 30 CO -0.04 0.00 -0.33 0.17 -4.11 0.00 0.00 178.44 174.13 2bbu h LEU 31 N 0.00 0.38 -0.85 0.17 8.10 -0.67 -1.21 115.31 121.23 2bbu h LEU 31 Ca 0.07 -0.14 -0.12 0.00 0.11 0.00 0.00 57.88 57.80 2bbu h LEU 31 Cb 0.49 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 2bbu h LEU 31 CO -0.00 0.69 -0.44 0.28 -4.11 0.00 0.00 178.44 174.86 2bbu h SER 32 N 0.32 0.31 1.82 0.17 0.02 -0.18 0.23 113.55 116.24 2bbu h SER 32 Ca 0.04 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2bbu h SER 32 Cb 0.74 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2bbu h SER 32 CO 0.06 0.72 -0.18 0.00 -1.14 0.00 0.00 176.83 176.28 2bbu h ALA 33 N 1.30 0.90 -3.00 3.77 0.00 -1.22 -3.40 119.26 117.62 2bbu h ALA 33 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bbu h ALA 33 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bbu h ALA 33 CO 0.07 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.84 2bbu n GLU 34 N -3.09 0.00 -1.33 0.00 -0.58 -0.49 -4.89 120.64 110.26 2bbu n GLU 34 Ca 0.03 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.36 2bbu n GLU 34 Cb 0.57 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.41 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 -0.31 2.15 -1.73 3.49 -0.04 -0.41 -4.94 135.00 133.21 2bbu n PRO 35 Ca 0.00 -2.10 -0.41 0.00 -0.04 0.00 0.00 63.50 60.95 2bbu n PRO 35 Cb 0.00 -3.00 0.01 0.00 -0.04 0.00 0.00 33.50 30.47 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 6.48 1.66 -0.89 0.55 0.00 0.66 -2.14 120.51 126.84 2bbu n ALA 36 Ca 0.52 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2bbu n ALA 36 Cb 0.37 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 0.68 0.46 3.14 0.00 0.00 -1.26 -5.00 105.19 103.21 2bbu n GLY 37 Ca 0.05 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 1.02 -0.03 2.61 2.01 -0.91 -4.29 115.64 114.05 2bbu s THR 38 Ca 0.00 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 60.93 2bbu s THR 38 Cb 0.00 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2bbu s THR 38 CO 0.00 -0.15 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.18 2bbu s PHE 39 N -1.10 2.16 0.22 4.92 0.08 -1.23 -4.29 117.98 118.74 2bbu s PHE 39 Ca -0.02 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.64 2bbu s PHE 39 Cb -0.09 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2bbu s PHE 39 CO 0.02 -0.08 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.76 2bbu s LEU 40 N -0.44 2.54 -0.14 -0.37 0.20 -1.26 -3.78 118.68 115.42 2bbu s LEU 40 Ca 0.06 -1.06 -0.01 0.00 0.69 0.00 0.00 54.13 53.81 2bbu s LEU 40 Cb -0.10 -0.68 -0.02 0.00 -0.43 0.00 0.00 46.19 44.96 2bbu s LEU 40 CO 0.00 -0.20 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.12 2bbu s ILE 41 N -2.97 3.21 -0.03 6.68 -1.09 -1.26 -4.04 121.20 121.71 2bbu s ILE 41 Ca 0.24 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2bbu s ILE 41 Cb 0.00 -2.37 -0.00 0.00 -1.58 0.00 0.00 42.46 38.51 2bbu s ILE 41 CO 0.08 0.51 -0.13 -0.60 -1.23 0.00 0.00 174.94 173.57 2bbu s ARG 42 N 0.49 1.32 0.01 2.79 6.06 -1.24 0.57 118.95 128.95 2bbu s ARG 42 Ca -0.08 -0.47 -0.30 0.00 -2.50 0.00 0.00 55.73 52.38 2bbu s ARG 42 Cb -0.15 -1.20 -0.05 0.00 0.06 0.00 0.00 34.95 33.61 2bbu s ARG 42 CO 0.04 0.20 1.24 0.34 -2.50 0.00 0.00 175.30 174.63 2bbu s ASP 43 N 0.02 7.02 0.42 -2.12 -1.08 -1.23 -3.77 116.67 115.93 2bbu s ASP 43 Ca -0.01 1.98 0.01 0.00 -0.52 0.00 0.00 52.55 54.01 2bbu s ASP 43 Cb -0.09 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.81 2bbu s ASP 43 CO 0.01 -0.56 0.10 -1.54 0.52 0.00 0.00 175.17 173.70 2bbu n SER 44 N 4.60 2.94 -3.85 -0.34 3.41 -1.24 -4.55 113.62 114.60 2bbu n SER 44 Ca 0.10 -2.74 -0.32 0.00 -0.26 0.00 0.00 58.87 55.65 2bbu n SER 44 Cb 0.46 0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 2bbu n SER 44 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2bbu n SER 45 N -1.43 -4.80 -1.25 4.04 2.88 -1.26 -4.42 113.62 107.38 2bbu n SER 45 Ca -0.13 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 2bbu n SER 45 Cb 0.52 -2.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bbu n ASP 46 N -2.41 -6.99 0.00 -3.46 -0.08 -1.26 -4.54 116.55 97.81 2bbu n ASP 46 Ca -0.20 0.94 0.05 0.00 -1.51 0.00 0.00 54.79 54.07 2bbu n ASP 46 Cb 0.62 -3.31 0.22 0.00 2.34 0.00 0.00 41.12 40.99 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bbu n GLN 47 N -0.35 0.07 -0.32 -0.67 10.64 -1.26 -3.42 117.38 122.07 2bbu n GLN 47 Ca 0.00 0.27 0.09 0.00 -1.83 0.00 0.00 57.00 55.53 2bbu n GLN 47 Cb 0.00 -1.50 0.21 0.00 -0.86 0.00 0.00 30.24 28.09 2bbu n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2bbu h ARG 48 N 0.00 0.03 0.00 2.61 3.08 -1.88 -3.46 114.38 114.76 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 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2bbu h ARG 48 CO 0.00 0.02 0.00 -2.39 -1.07 0.00 0.00 179.97 176.53 2bbu n HIS 49 N -5.48 0.00 -2.73 3.04 1.44 -1.22 -4.90 115.22 105.37 2bbu n HIS 49 Ca 0.18 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.85 2bbu n HIS 49 Cb 0.60 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 2bbu n HIS 49 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2bbu n PHE 50 N 1.02 -3.40 -4.33 -1.40 -0.00 -1.26 -4.65 117.46 103.43 2bbu n PHE 50 Ca 0.00 1.94 -0.23 0.00 -0.00 0.00 0.00 57.45 59.16 2bbu n PHE 50 Cb 0.00 -3.24 -0.13 0.00 -0.00 0.00 0.00 39.48 36.11 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 2bbu s PHE 51 N -0.61 1.66 0.15 -5.13 -0.12 -1.26 -3.72 117.98 108.96 2bbu s PHE 51 Ca -0.20 -0.41 0.08 0.00 -0.05 0.00 0.00 56.93 56.34 2bbu s PHE 51 Cb 0.01 -0.93 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 2bbu s PHE 51 CO 0.61 0.15 -0.17 0.99 -0.05 0.00 0.00 175.22 176.75 2bbu s THR 52 N -1.09 1.66 -0.03 -4.49 2.01 -1.25 -4.73 115.64 107.72 2bbu s THR 52 Ca 0.05 -1.85 0.04 0.00 0.31 0.00 0.00 61.69 60.24 2bbu s THR 52 Cb -0.10 -1.75 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 2bbu s THR 52 CO 0.03 -0.35 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.23 2bbu s LEU 53 N -2.60 1.93 0.13 4.42 2.96 -1.26 -3.63 118.68 120.64 2bbu s LEU 53 Ca 0.14 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 2bbu s LEU 53 Cb -0.05 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2bbu s LEU 53 CO 0.05 0.16 -0.16 -0.94 -1.32 0.00 0.00 176.35 174.14 2bbu s SER 54 N -0.05 2.25 0.47 3.68 1.04 -1.26 -3.76 113.70 116.06 2bbu s SER 54 Ca -0.01 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.65 2bbu s SER 54 Cb -0.10 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 2bbu s SER 54 CO 0.01 -0.09 0.07 0.68 0.98 0.00 0.00 173.24 174.89 2bbu s VAL 55 N -2.00 1.66 -0.11 5.02 -7.23 -1.21 -4.07 120.40 112.47 2bbu s VAL 55 Ca 0.10 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2bbu s VAL 55 Cb -0.06 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2bbu s VAL 55 CO 0.04 0.00 0.06 -0.75 -0.31 0.00 0.00 175.10 174.14 2bbu s LYS 56 N -3.87 3.26 0.18 4.82 2.36 -1.26 -3.77 119.74 121.46 2bbu s LYS 56 Ca 0.24 -0.29 0.07 0.00 -2.55 0.00 0.00 55.97 53.43 2bbu s LYS 56 Cb 0.04 -2.99 -0.04 0.00 -1.05 0.00 0.00 37.83 33.79 2bbu s LYS 56 CO 0.13 0.69 -0.15 0.99 1.55 0.00 0.00 175.35 178.56 2bbu s THR 57 N -0.81 1.62 0.55 3.43 2.01 -1.26 -4.69 115.64 116.49 2bbu s THR 57 Ca 0.13 -2.05 0.39 0.00 0.31 0.00 0.00 61.69 60.47 2bbu s THR 57 Cb -0.12 -1.89 0.57 0.00 0.01 0.00 0.00 72.50 71.07 2bbu s THR 57 CO 0.03 -0.53 1.38 0.00 -0.69 0.00 0.00 174.62 174.81 2bbu n GLN 58 N -0.07 0.01 -1.35 4.92 6.02 -1.26 -3.02 117.38 122.62 2bbu n GLN 58 Ca -0.11 1.01 -0.01 0.00 -0.01 0.00 0.00 57.00 57.88 2bbu n GLN 58 Cb 0.59 -2.39 0.01 0.00 1.02 0.00 0.00 30.24 29.47 2bbu n GLN 58 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2bbu n SER 59 N -3.55 -0.41 -3.05 1.08 2.88 -1.26 -5.04 113.62 104.27 2bbu n SER 59 Ca 0.34 -1.07 -0.16 0.00 -1.33 0.00 0.00 58.87 56.65 2bbu n SER 59 Cb 1.74 0.17 -0.00 0.00 -0.75 0.00 0.00 64.21 65.37 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 60 N -0.29 2.51 3.59 0.46 0.00 -1.17 -5.08 105.19 105.22 2bbu n GLY 60 Ca -0.07 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.35 4.09 0.34 2.61 -4.23 -1.26 -4.17 115.64 111.66 2bbu s THR 61 Ca 0.34 1.07 0.06 0.00 -1.18 0.00 0.00 61.69 61.98 2bbu s THR 61 Cb 0.30 -4.56 -0.03 0.00 1.34 0.00 0.00 72.50 69.55 2bbu s THR 61 CO -0.09 -1.05 0.23 -0.54 -0.54 0.00 0.00 174.62 172.62 2bbu s LYS 62 N 4.71 1.74 0.06 3.99 3.01 -1.25 -5.01 119.74 126.99 2bbu s LYS 62 Ca 0.49 -2.02 0.01 0.00 -1.01 0.00 0.00 55.97 53.44 2bbu s LYS 62 Cb -0.08 0.08 -0.03 0.00 -1.01 0.00 0.00 37.83 36.78 2bbu s LYS 62 CO 0.30 -0.58 -0.05 0.54 0.51 0.00 0.00 175.35 176.07 2bbu s ASN 63 N -3.41 0.77 0.09 2.83 4.22 -1.26 -3.30 114.94 114.88 2bbu s ASN 63 Ca 0.36 -0.82 0.05 0.00 -2.14 0.00 0.00 52.86 50.31 2bbu s ASN 63 Cb 0.03 0.11 -0.03 0.00 1.28 0.00 0.00 41.25 42.64 2bbu s ASN 63 CO 0.23 -0.41 -0.13 -0.76 -2.04 0.00 0.00 177.10 173.98 2bbu s LEU 64 N -2.43 2.33 0.20 3.54 1.43 -1.25 -5.02 118.68 117.49 2bbu s LEU 64 Ca 0.01 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2bbu s LEU 64 Cb 0.00 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2bbu s LEU 64 CO -0.04 -0.14 0.10 0.00 0.23 0.00 0.00 176.35 176.50 2bbu s ARG 65 N -2.17 2.69 0.14 1.70 1.70 -1.26 -4.06 118.95 117.69 2bbu s ARG 65 Ca 0.02 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 2bbu s ARG 65 Cb -0.07 -2.48 -0.07 0.00 -0.57 0.00 0.00 34.95 31.76 2bbu s ARG 65 CO 0.02 0.44 1.07 -1.50 -1.08 0.00 0.00 175.30 174.25 2bbu s ILE 66 N -1.92 4.09 0.23 4.99 1.10 -1.26 -4.85 121.20 123.58 2bbu s ILE 66 Ca 0.30 1.74 -0.08 0.00 -0.51 0.00 0.00 60.65 62.11 2bbu s ILE 66 Cb -0.09 -4.11 -0.06 0.00 0.15 0.00 0.00 42.46 38.35 2bbu s ILE 66 CO 0.22 0.27 0.52 -1.58 -2.11 0.00 0.00 174.94 172.26 2bbu s GLN 67 N -0.09 3.73 -0.22 3.50 -0.44 -0.89 -4.91 119.66 120.34 2bbu s GLN 67 Ca 0.50 0.15 -0.01 0.00 -2.50 0.00 0.00 55.36 53.50 2bbu s GLN 67 Cb -0.27 -2.68 0.02 0.00 -1.64 0.00 0.00 33.01 28.44 2bbu s GLN 67 CO 0.33 0.32 -0.11 0.00 0.50 0.00 0.00 175.29 176.33 2bbu s GLU 69 N 1.31 2.51 0.00 0.00 0.41 -0.77 -4.89 118.70 117.27 2bbu s GLU 69 Ca 0.02 -1.60 0.00 0.00 -0.41 0.00 0.00 54.97 52.98 2bbu s GLU 69 Cb -0.15 -3.81 0.00 0.00 -1.78 0.00 0.00 34.13 28.39 2bbu s GLU 69 CO -0.07 -1.05 0.00 0.41 -0.49 0.00 0.00 175.26 174.06 2bbu n GLY 70 N 4.88 0.26 2.73 -1.39 0.00 -1.26 -1.59 105.19 108.82 2bbu n GLY 70 Ca -0.09 0.74 -0.05 0.00 0.00 0.00 0.00 46.02 46.62 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 1.63 3.19 -0.02 0.00 -1.26 -5.11 105.19 103.62 2bbu n GLY 71 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2bbu n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bbu s SER 72 N -3.00 0.26 -0.06 1.61 0.15 -0.62 -4.74 113.70 107.30 2bbu s SER 72 Ca 0.25 -0.98 0.01 0.00 0.70 0.00 0.00 55.95 55.92 2bbu s SER 72 Cb 0.40 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 65.05 2bbu s SER 72 CO -0.02 -0.73 -0.05 -0.36 1.20 0.00 0.00 173.24 173.28 2bbu s PHE 73 N -3.96 0.93 -0.10 3.44 0.40 -1.21 -1.85 117.98 115.62 2bbu s PHE 73 Ca 0.15 -0.31 -0.22 0.00 -0.60 0.00 0.00 56.93 55.95 2bbu s PHE 73 Cb 0.06 -0.82 0.05 0.00 0.51 0.00 0.00 43.02 42.82 2bbu s PHE 73 CO -0.04 -0.27 0.53 -1.54 0.70 0.00 0.00 175.22 174.60 2bbu s SER 74 N 1.16 -0.50 0.00 1.36 1.04 -1.04 -3.94 113.70 111.78 2bbu s SER 74 Ca -0.07 0.70 0.28 0.00 0.48 0.00 0.00 55.95 57.34 2bbu s SER 74 Cb -0.14 0.71 1.04 0.00 0.10 0.00 0.00 66.02 67.72 2bbu s SER 74 CO -0.01 -0.40 1.79 -0.11 0.98 0.00 0.00 173.24 175.48 2bbu n LEU 75 N 1.75 0.15 0.00 2.42 0.00 -1.26 -2.09 117.00 117.97 2bbu n LEU 75 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 56.01 56.18 2bbu n LEU 75 Cb 0.56 -0.42 0.00 0.00 0.00 0.00 0.00 43.42 43.56 2bbu n LEU 75 CO 0.17 0.04 0.00 0.00 0.00 0.00 0.00 177.39 177.60 2bbu n GLN 76 N -1.49 0.00 -2.94 1.96 10.64 -1.26 -4.88 117.38 119.41 2bbu n GLN 76 Ca 0.07 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.10 2bbu n GLN 76 Cb 0.34 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.74 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 -1.19 -4.10 2.61 3.41 -1.26 -4.99 113.62 108.09 2bbu n SER 77 Ca 0.00 -3.25 -0.33 0.00 -0.26 0.00 0.00 58.87 55.03 2bbu n SER 77 Cb 0.00 0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 64.58 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 -1.66 3.84 -0.25 4.04 -4.77 -1.26 -5.00 116.67 111.61 2bbu s ASP 78 Ca 0.31 -1.01 -0.04 0.00 -3.30 0.00 0.00 52.55 48.51 2bbu s ASP 78 Cb 0.27 -1.53 -0.14 0.00 -1.09 0.00 0.00 42.92 40.44 2bbu s ASP 78 CO -0.11 -0.10 2.35 -0.81 0.70 0.00 0.00 175.17 177.20 2bbu n PRO 79 N 4.54 1.48 -0.46 2.11 -0.04 -1.26 -4.03 135.00 137.33 2bbu n PRO 79 Ca -0.17 -0.84 0.03 0.00 -0.04 0.00 0.00 63.50 62.48 2bbu n PRO 79 Cb 0.46 -1.98 0.21 0.00 -0.04 0.00 0.00 33.50 32.15 2bbu n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bbu n ARG 80 N 3.06 2.98 -0.10 0.54 5.12 -1.26 -4.54 116.66 122.46 2bbu n ARG 80 Ca 0.32 -1.61 -0.04 0.00 -1.93 0.00 0.00 57.85 54.59 2bbu n ARG 80 Cb 0.45 -1.89 0.04 0.00 -1.16 0.00 0.00 32.46 29.90 2bbu n ARG 80 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2bbu n SER 81 N 0.31 -1.71 -0.75 0.55 2.88 -1.13 -4.84 113.62 108.93 2bbu n SER 81 Ca 0.14 -0.12 0.08 0.00 -1.33 0.00 0.00 58.87 57.64 2bbu n SER 81 Cb 0.74 -0.19 0.23 0.00 -0.75 0.00 0.00 64.21 64.24 2bbu n SER 81 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bbu n THR 82 N -3.10 2.03 0.00 2.46 -1.04 -1.26 -4.91 114.28 108.46 2bbu n THR 82 Ca 0.02 -1.77 0.00 0.00 -2.04 0.00 0.00 64.05 60.26 2bbu n THR 82 Cb 0.08 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 2bbu n THR 82 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2bbu n GLN 83 N -0.45 0.00 0.00 -2.82 7.27 -1.26 -5.02 117.38 115.10 2bbu n GLN 83 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 2bbu n GLN 83 Cb 0.78 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.43 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2bbu n PRO 84 N -0.08 0.00 -2.70 3.69 -0.04 -1.26 -4.96 135.00 129.65 2bbu n PRO 84 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2bbu n PRO 84 Cb 0.00 -0.08 0.03 0.00 -0.04 0.00 0.00 33.50 33.41 2bbu n PRO 84 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bbu s VAL 85 N 0.00 3.01 0.16 0.52 0.11 -1.26 -5.04 120.40 117.90 2bbu s VAL 85 Ca 0.00 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.15 2bbu s VAL 85 Cb 0.00 -3.13 -0.08 0.00 -1.53 0.00 0.00 36.38 31.64 2bbu s VAL 85 CO 0.00 -0.09 1.32 -2.16 -3.33 0.00 0.00 175.10 170.83 2bbu s PRO 86 N -4.73 4.38 0.00 1.54 0.04 -1.26 -4.27 135.00 130.69 2bbu s PRO 86 Ca 0.55 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2bbu s PRO 86 Cb -0.10 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2bbu s PRO 86 CO 0.39 -0.30 0.00 0.54 0.04 0.00 0.00 177.00 177.66 2bbu n ARG 87 N 3.18 0.00 0.00 4.56 1.74 -1.26 -4.39 116.66 120.50 2bbu n ARG 87 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2bbu n ARG 87 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 2bbu n ARG 87 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2bbu n PHE 88 N 0.00 0.00 -2.80 -1.55 3.01 -1.26 -2.85 117.46 112.01 2bbu n PHE 88 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2bbu n PHE 88 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 2bbu n PHE 88 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2bbu s ASP 89 N 0.00 6.48 0.00 4.37 2.15 -1.26 -3.29 116.67 125.12 2bbu s ASP 89 Ca 0.00 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.05 2bbu s ASP 89 Cb 0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2bbu s ASP 89 CO 0.00 -1.11 0.00 0.00 -0.17 0.00 0.00 175.17 173.89 2bbu h VAL 91 N 0.00 0.26 -0.70 0.00 2.07 -1.82 0.24 116.25 116.30 2bbu h VAL 91 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2bbu h VAL 91 Cb 0.00 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 2bbu h VAL 91 CO 0.00 0.00 0.47 0.25 0.02 0.00 0.00 177.57 178.31 2bbu h LEU 92 N 0.00 0.54 -1.15 2.57 5.85 -1.90 -0.09 115.31 121.14 2bbu h LEU 92 Ca 0.26 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2bbu h LEU 92 Cb 1.53 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 2bbu h LEU 92 CO -0.00 0.33 0.58 0.50 -0.34 0.00 0.00 178.44 179.51 2bbu h LYS 93 N 0.61 1.04 -0.25 1.25 3.11 -0.74 -0.59 116.57 120.99 2bbu h LYS 93 Ca 0.32 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.99 2bbu h LYS 93 Cb 0.45 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2bbu h LYS 93 CO -0.11 0.69 -0.31 1.25 -2.81 0.00 0.00 179.45 178.16 2bbu h LEU 94 N 1.07 0.53 -1.29 5.20 6.46 -1.16 -2.88 115.31 123.25 2bbu h LEU 94 Ca 0.37 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 58.04 2bbu h LEU 94 Cb 0.09 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.81 2bbu h LEU 94 CO -0.12 0.81 0.55 0.58 -0.62 0.00 0.00 178.44 179.65 2bbu h VAL 95 N 0.45 0.91 -0.64 1.05 2.07 -0.68 0.62 116.25 120.02 2bbu h VAL 95 Ca 0.06 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.42 2bbu h VAL 95 Cb 0.76 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 2bbu h VAL 95 CO 0.06 0.14 0.23 -0.74 0.02 0.00 0.00 177.57 177.28 2bbu h HIS 96 N 0.75 0.40 0.09 1.57 -0.00 -1.33 0.52 115.15 117.16 2bbu h HIS 96 Ca 0.41 0.03 -0.27 0.00 -0.00 0.00 0.00 60.37 60.54 2bbu h HIS 96 Cb 0.54 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.88 2bbu h HIS 96 CO -0.00 0.08 -1.16 1.25 -0.00 0.00 0.00 177.93 178.09 2bbu h HIS 97 N 0.40 0.69 0.00 5.26 6.17 -1.38 -0.75 115.15 125.54 2bbu h HIS 97 Ca 0.33 -0.44 0.00 0.00 0.71 0.00 0.00 60.37 60.97 2bbu h HIS 97 Cb 0.44 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.32 2bbu h HIS 97 CO -0.18 1.30 0.00 0.66 0.71 0.00 0.00 177.93 180.43 2bbu n TYR 98 N -3.68 0.37 -2.66 5.26 4.01 0.09 -4.37 117.16 116.19 2bbu n TYR 98 Ca -0.10 0.15 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 2bbu n TYR 98 Cb 0.96 -0.74 0.04 0.00 -0.31 0.00 0.00 39.34 39.29 2bbu n TYR 98 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2bbu n MET 99 N -1.84 0.06 -1.44 -0.72 1.56 0.17 -5.02 117.12 109.90 2bbu n MET 99 Ca 0.03 -0.67 -0.29 0.00 -0.27 0.00 0.00 57.70 56.49 2bbu n MET 99 Cb 0.19 0.24 0.12 0.00 2.15 0.00 0.00 33.22 35.92 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2bbu s PRO 100 N 0.91 1.47 -0.21 2.12 0.04 -0.30 -4.59 135.00 134.44 2bbu s PRO 100 Ca 0.23 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 2bbu s PRO 100 Cb 0.15 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.81 2bbu s PRO 100 CO -0.11 -2.03 1.44 -1.25 0.04 0.00 0.00 177.00 175.09 2bbu s PRO 101 N -5.13 3.99 0.59 0.56 0.04 -1.26 -4.87 135.00 128.92 2bbu s PRO 101 Ca 0.63 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.17 2bbu s PRO 101 Cb -0.16 -3.91 0.14 0.00 0.04 0.00 0.00 34.50 30.61 2bbu s PRO 101 CO 0.55 -1.04 0.59 -0.35 0.04 0.00 0.00 177.00 176.79 2bbu n PRO 102 N 7.23 -1.67 -2.89 0.56 -0.04 -1.26 -4.76 135.00 132.16 2bbu n PRO 102 Ca 0.16 -0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 62.56 2bbu n PRO 102 Cb 0.45 -0.79 0.04 0.00 -0.04 0.00 0.00 33.50 33.16 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 -0.69 1.61 0.28 0.55 0.00 -1.26 -5.00 105.19 100.69 2bbu n GLY 103 Ca 0.08 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2bbu n GLY 103 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bbu h THR 104 N 2.32 0.22 -4.20 2.61 1.35 -1.99 -3.45 112.91 109.78 2bbu h THR 104 Ca -0.03 -0.53 -0.48 0.00 -0.55 0.00 0.00 66.41 64.82 2bbu h THR 104 Cb 1.05 0.34 0.13 0.00 -1.73 0.00 0.00 68.15 67.93 2bbu h THR 104 CO 0.27 0.04 0.30 -2.16 -0.25 0.00 0.00 175.52 173.72 2bbu s PRO 105 N -4.14 1.62 0.00 4.72 0.04 -1.26 -5.05 135.00 130.92 2bbu s PRO 105 Ca -0.12 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2bbu s PRO 105 Cb 0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2bbu s PRO 105 CO 0.40 -1.94 0.00 -1.13 0.04 0.00 0.00 177.00 174.36 2bbu n SER 106 N -3.65 0.00 -3.60 6.66 3.41 -1.26 -5.09 113.62 110.09 2bbu n SER 106 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 2bbu n SER 106 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2bbu n SER 106 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2bbu s PHE 107 N 0.00 0.66 -0.35 7.33 0.08 -1.26 -5.09 117.98 119.35 2bbu s PHE 107 Ca 0.00 -1.00 0.15 0.00 0.12 0.00 0.00 56.93 56.20 2bbu s PHE 107 Cb 0.00 0.10 0.43 0.00 -0.57 0.00 0.00 43.02 42.99 2bbu s PHE 107 CO 0.00 -1.09 0.93 -1.13 -0.10 0.00 0.00 175.22 173.83 2bbu n SER 108 N -0.89 1.82 -4.51 1.36 3.41 -1.26 -5.10 113.62 108.46 2bbu n SER 108 Ca -0.01 -2.92 -0.24 0.00 -0.26 0.00 0.00 58.87 55.44 2bbu n SER 108 Cb 0.62 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 2bbu n SER 108 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bbu s LEU 109 N -3.06 2.41 0.62 1.04 1.02 -1.26 -5.13 118.68 114.32 2bbu s LEU 109 Ca 0.33 -1.39 -0.15 0.00 0.02 0.00 0.00 54.13 52.93 2bbu s LEU 109 Cb 0.43 -0.56 -0.02 0.00 0.02 0.00 0.00 46.19 46.06 2bbu s LEU 109 CO -0.01 -0.57 1.07 -2.16 0.02 0.00 0.00 176.35 174.70 2bbu s PRO 110 N -3.83 3.13 0.66 1.29 0.04 -1.26 -5.02 135.00 130.01 2bbu s PRO 110 Ca 0.35 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 2bbu s PRO 110 Cb 0.09 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2bbu s PRO 110 CO 0.16 -0.96 1.07 -1.25 0.04 0.00 0.00 177.00 176.06 2bbu s PRO 111 N -4.16 2.97 0.40 0.56 0.04 -1.26 -4.85 135.00 128.69 2bbu s PRO 111 Ca 0.64 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2bbu s PRO 111 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2bbu s PRO 111 CO 0.40 -1.09 0.00 0.25 0.04 0.00 0.00 177.00 176.60 2bbu n THR 112 N -2.61 0.00 -4.35 1.26 -2.24 -1.26 -4.61 114.28 100.47 2bbu n THR 112 Ca 0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 2bbu n THR 112 Cb 0.53 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2bbu n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bbu s GLU 113 N 0.00 3.21 0.00 -0.78 0.41 -1.26 -5.01 118.70 115.26 2bbu s GLU 113 Ca 0.00 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 2bbu s GLU 113 Cb 0.00 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 2bbu s GLU 113 CO 0.00 0.57 0.00 -0.35 -0.49 0.00 0.00 175.26 174.99 2bbu n PRO 114 N 2.55 1.09 -3.33 0.39 -0.04 -1.26 -5.08 135.00 129.32 2bbu n PRO 114 Ca -0.18 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 2bbu n PRO 114 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 2bbu n PRO 114 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2bbu s SER 115 N -1.35 0.06 0.09 3.54 0.01 -1.26 -5.12 113.70 109.67 2bbu s SER 115 Ca 0.00 0.27 -0.35 0.00 1.31 0.00 0.00 55.95 57.18 2bbu s SER 115 Cb 0.00 1.24 -0.18 0.00 0.21 0.00 0.00 66.02 67.29 2bbu s SER 115 CO 0.00 -0.30 1.01 -1.20 0.41 0.00 0.00 173.24 173.16 2bbu n SER 116 N 5.37 0.25 0.00 2.44 7.64 -1.26 -4.72 113.62 123.35 2bbu n SER 116 Ca -0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2bbu n SER 116 Cb 0.50 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2bbu n SER 116 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bbu n GLU 117 N 1.57 0.00 0.15 1.43 -0.58 -1.26 -5.01 120.64 116.94 2bbu n GLU 117 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 2bbu n GLU 117 Cb 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bbu n VAL 118 N -1.01 0.00 0.99 2.62 0.31 -1.26 -4.90 118.33 115.07 2bbu n VAL 118 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2bbu n VAL 118 Cb 0.00 0.00 0.49 0.00 -0.91 0.00 0.00 33.84 33.42 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 -3.19 0.41 -1.55 5.55 -0.04 -1.26 -4.77 135.00 130.16 2bbu n PRO 119 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2bbu n PRO 119 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2bbu n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2bbu n GLU 120 N -1.14 2.06 0.00 0.54 1.02 -1.26 -5.06 120.64 116.80 2bbu n GLU 120 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2bbu n GLU 120 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 2bbu n GLU 120 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2bbu n GLN 121 N 0.00 0.00 -2.40 3.49 1.13 -1.26 -4.66 117.38 113.68 2bbu n GLN 121 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 2bbu n GLN 121 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2bbu s PRO 122 N 0.00 4.53 -0.06 -1.09 0.04 -1.26 -4.96 135.00 132.20 2bbu s PRO 122 Ca 0.00 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 2bbu s PRO 122 Cb 0.00 -3.23 -0.22 0.00 0.04 0.00 0.00 34.50 31.09 2bbu s PRO 122 CO 0.00 -0.01 1.09 -1.00 0.04 0.00 0.00 177.00 177.12 2bbu h PRO 123 N 4.85 0.05 0.00 0.56 0.13 -2.00 -3.48 132.00 132.11 2bbu h PRO 123 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2bbu h PRO 123 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bbu h PRO 123 CO 0.72 0.72 0.00 0.00 -0.23 0.00 0.00 178.00 179.21 2bbu n ALA 124 N -2.45 0.00 -0.95 -0.56 0.00 -1.26 -4.60 120.51 110.68 2bbu n ALA 124 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2bbu n ALA 124 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 0.00 0.00 0.00 6.02 -1.26 -3.85 117.38 118.29 2bbu n GLN 125 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2bbu n GLN 125 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 5.79 0.00 -1.79 -1.58 0.00 -1.26 -4.34 120.51 117.33 2bbu n ALA 126 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2bbu n ALA 126 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 2bbu n ALA 126 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2bbu s LEU 127 N -1.19 4.36 0.75 0.00 0.20 -1.25 -4.97 118.68 116.58 2bbu s LEU 127 Ca 0.00 2.84 -0.11 0.00 0.69 0.00 0.00 54.13 57.55 2bbu s LEU 127 Cb 0.00 -3.61 0.04 0.00 -0.43 0.00 0.00 46.19 42.19 2bbu s LEU 127 CO 0.00 -0.90 1.08 -2.16 -0.29 0.00 0.00 176.35 174.08 2bbu s PRO 128 N 0.37 2.45 -0.16 0.98 0.04 -1.26 -4.69 135.00 132.74 2bbu s PRO 128 Ca 0.68 0.92 0.14 0.00 0.04 0.00 0.00 61.00 62.78 2bbu s PRO 128 Cb -0.47 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 2bbu s PRO 128 CO 0.39 -1.43 0.22 0.41 0.04 0.00 0.00 177.00 176.63 2bbu n GLY 129 N -1.77 -0.94 3.73 0.56 0.00 -1.26 -4.90 105.19 100.61 2bbu n GLY 129 Ca 0.08 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2bbu n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbu s SER 130 N -5.79 7.13 -0.82 1.61 0.01 -1.26 -4.84 113.70 109.74 2bbu s SER 130 Ca -0.11 2.12 -0.33 0.00 1.31 0.00 0.00 55.95 58.94 2bbu s SER 130 Cb 0.07 -2.60 -0.19 0.00 0.21 0.00 0.00 66.02 63.51 2bbu s SER 130 CO 0.81 -0.36 2.54 0.35 0.41 0.00 0.00 173.24 176.99 2bbu n THR 131 N 2.93 0.00 -2.24 1.44 -2.24 -1.26 -4.79 114.28 108.13 2bbu n THR 131 Ca 0.05 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 2bbu n THR 131 Cb 0.46 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 2bbu n THR 131 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2bbu s PRO 132 N 8.24 3.32 -0.47 -0.78 0.04 -1.26 -4.90 135.00 139.19 2bbu s PRO 132 Ca 1.28 0.87 0.06 0.00 0.04 0.00 0.00 61.00 63.25 2bbu s PRO 132 Cb -1.16 -4.14 0.18 0.00 0.04 0.00 0.00 34.50 29.42 2bbu s PRO 132 CO 0.50 -1.89 0.60 0.21 0.04 0.00 0.00 177.00 176.45 2bbu s LYS 133 N 5.54 0.98 0.00 4.56 2.20 -1.26 -4.37 119.74 127.40 2bbu s LYS 133 Ca 0.64 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2bbu s LYS 133 Cb -0.15 -0.43 0.00 0.00 -1.51 0.00 0.00 37.83 35.74 2bbu s LYS 133 CO 0.29 -1.32 0.00 0.54 -0.36 0.00 0.00 175.35 174.50 2bbu n ARG 134 N 3.12 3.22 -3.64 4.03 5.12 -1.26 -5.10 116.66 122.15 2bbu n ARG 134 Ca 0.20 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.03 2bbu n ARG 134 Cb 0.53 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.76 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bbu s ALA 135 N -3.67 -1.88 -0.15 7.54 0.00 -1.26 -4.99 121.76 117.34 2bbu s ALA 135 Ca 0.00 2.30 0.02 0.00 0.00 0.00 0.00 51.96 54.27 2bbu s ALA 135 Cb 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2bbu s ALA 135 CO 0.00 -0.36 -0.20 -0.47 0.00 0.00 0.00 175.76 174.72 2bbu s TYR 136 N 1.26 2.72 0.22 0.00 5.04 -1.20 -5.03 117.35 120.36 2bbu s TYR 136 Ca -0.07 -1.39 -0.17 0.00 -2.44 0.00 0.00 57.07 53.00 2bbu s TYR 136 Cb -0.05 -1.86 0.02 0.00 0.35 0.00 0.00 41.96 40.42 2bbu s TYR 136 CO -0.14 -0.65 0.54 1.52 -1.34 0.00 0.00 175.55 175.48 2bbu s TYR 137 N 0.96 -0.00 0.05 4.97 -0.85 -1.26 -2.58 117.35 118.64 2bbu s TYR 137 Ca -0.03 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 2bbu s TYR 137 Cb -0.15 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.54 2bbu s TYR 137 CO -0.05 -0.98 0.15 0.42 -1.52 0.00 0.00 175.55 173.57 2bbu s ILE 138 N -3.92 5.02 -0.16 -3.49 1.01 -0.34 -4.88 121.20 114.45 2bbu s ILE 138 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 2bbu s ILE 138 Cb -0.02 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 2bbu s ILE 138 CO 0.02 0.18 0.19 -0.31 0.00 0.00 0.00 174.94 175.01 2bbu s TYR 139 N -1.41 3.49 0.00 3.97 1.51 -1.26 0.63 117.35 124.28 2bbu s TYR 139 Ca 0.31 0.48 0.00 0.00 -1.01 0.00 0.00 57.07 56.85 2bbu s TYR 139 Cb -0.13 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 2bbu s TYR 139 CO 0.23 0.41 0.00 0.45 -1.11 0.00 0.00 175.55 175.54 2bbu n SER 140 N 3.04 0.00 -3.15 2.29 2.88 0.72 -4.86 113.62 114.53 2bbu n SER 140 Ca -0.16 -0.21 -0.16 0.00 -1.33 0.00 0.00 58.87 57.01 2bbu n SER 140 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 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 5.00 2.57 0.00 0.46 0.00 -1.26 -3.21 105.19 108.75 2bbu n GLY 141 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 3.90 0.66 3.14 -0.02 0.00 -1.26 -5.07 105.19 106.55 2bbu n GLY 142 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.92 3.00 -0.60 1.61 2.12 -1.20 -5.08 118.70 117.64 2bbu s GLU 143 Ca 0.00 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 2bbu s GLU 143 Cb 0.00 -2.52 0.03 0.00 0.26 0.00 0.00 34.13 31.90 2bbu s GLU 143 CO 0.00 -0.14 1.18 -1.59 -0.54 0.00 0.00 175.26 174.17 2bbu s LYS 144 N 1.11 3.45 -0.49 4.30 -2.85 -1.26 0.26 119.74 124.26 2bbu s LYS 144 Ca 0.00 0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.83 2bbu s LYS 144 Cb -0.14 -4.04 0.03 0.00 -2.06 0.00 0.00 37.83 31.62 2bbu s LYS 144 CO -0.09 -1.72 1.04 0.42 0.10 0.00 0.00 175.35 175.10 2bbu s ILE 145 N 4.94 4.31 0.04 3.79 1.09 0.21 -4.93 121.20 130.65 2bbu s ILE 145 Ca 0.41 0.89 -0.30 0.00 -1.10 0.00 0.00 60.65 60.54 2bbu s ILE 145 Cb -0.08 -4.54 -0.05 0.00 -1.06 0.00 0.00 42.46 36.72 2bbu s ILE 145 CO 0.23 -0.99 1.18 -2.16 -0.10 0.00 0.00 174.94 173.10 2bbu s PRO 146 N 4.18 4.44 -0.04 2.79 0.04 -1.26 -1.19 135.00 143.95 2bbu s PRO 146 Ca 0.41 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.22 2bbu s PRO 146 Cb -0.09 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2bbu s PRO 146 CO 0.28 -0.26 -0.18 -0.51 0.04 0.00 0.00 177.00 176.37 2bbu s LEU 147 N 1.20 1.95 -0.32 -3.56 2.01 -1.07 -4.92 118.68 113.97 2bbu s LEU 147 Ca 0.58 -0.37 -0.14 0.00 0.01 0.00 0.00 54.13 54.20 2bbu s LEU 147 Cb -0.28 -1.02 -0.02 0.00 0.01 0.00 0.00 46.19 44.88 2bbu s LEU 147 CO 0.28 0.17 0.33 0.54 1.01 0.00 0.00 176.35 178.69 2bbu s VAL 148 N -0.04 5.20 -0.35 -1.59 0.11 -1.26 -3.22 120.40 119.24 2bbu s VAL 148 Ca -0.02 0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 2bbu s VAL 148 Cb -0.11 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2bbu s VAL 148 CO 0.02 0.02 0.59 -0.22 -3.33 0.00 0.00 175.10 172.18 2bbu s LEU 149 N 1.97 4.29 0.00 2.54 2.96 -1.26 -4.78 118.68 124.40 2bbu s LEU 149 Ca 0.11 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2bbu s LEU 149 Cb -0.16 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.82 2bbu s LEU 149 CO 0.11 -0.55 0.03 -0.24 -1.32 0.00 0.00 176.35 174.38 2bbu n SER 150 N 5.93 0.00 -4.43 3.68 2.88 -1.26 -4.55 113.62 115.86 2bbu n SER 150 Ca -0.03 -0.91 -0.35 0.00 -1.33 0.00 0.00 58.87 56.25 2bbu n SER 150 Cb 0.49 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.82 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2bbu s ARG 151 N 0.00 3.58 0.41 -1.46 0.52 -1.26 -4.86 118.95 115.88 2bbu s ARG 151 Ca 0.00 -0.53 -0.22 0.00 -0.52 0.00 0.00 55.73 54.45 2bbu s ARG 151 Cb 0.00 -3.07 -0.10 0.00 0.52 0.00 0.00 34.95 32.29 2bbu s ARG 151 CO 0.00 -0.02 0.97 -1.25 0.02 0.00 0.00 175.30 175.02 2bbu s PRO 152 N 1.08 4.23 0.08 3.54 0.04 -1.26 -3.50 135.00 139.21 2bbu s PRO 152 Ca 0.02 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 2bbu s PRO 152 Cb -0.14 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 2bbu s PRO 152 CO 0.01 -0.04 0.80 -0.48 0.04 0.00 0.00 177.00 177.34 2bbu s LEU 153 N -2.93 4.49 0.00 -3.56 0.05 -1.25 -4.76 118.68 110.72 2bbu s LEU 153 Ca 0.60 1.55 0.00 0.00 0.05 0.00 0.00 54.13 56.33 2bbu s LEU 153 Cb -0.14 -3.31 0.00 0.00 -2.05 0.00 0.00 46.19 40.69 2bbu s LEU 153 CO 0.18 0.04 0.00 -0.24 -0.55 0.00 0.00 176.35 175.78 2bbu n SER 154 N 2.56 0.00 -4.67 1.48 2.88 -1.26 -4.50 113.62 110.11 2bbu n SER 154 Ca -0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.18 2bbu n SER 154 Cb 0.50 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.08 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 1.14 0.78 0.00 -3.46 2.88 -1.26 -5.15 113.62 108.56 2bbu n SER 155 Ca 0.00 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2bbu n SER 155 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 2bbu n SER 155 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35