#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 0.67 -0.67 -1.84 -0.00 -1.83 -2.78 116.97 110.53 2bbu h TYR 2 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 58.73 58.73 2bbu h TYR 2 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 36.73 36.52 2bbu h TYR 2 CO 0.00 0.76 0.45 1.96 -0.00 0.00 0.00 178.16 181.34 2bbu h GLN 3 N 0.54 0.29 -0.10 0.10 4.20 -1.94 0.15 115.11 118.35 2bbu h GLN 3 Ca 0.08 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2bbu h GLN 3 Cb 0.65 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2bbu h GLN 3 CO 0.05 0.19 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.31 2bbu h LEU 4 N 0.30 0.20 -0.11 1.46 3.38 -1.88 -2.08 115.31 116.58 2bbu h LEU 4 Ca 0.32 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2bbu h LEU 4 Cb 0.84 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2bbu h LEU 4 CO -0.08 0.51 -0.39 -0.37 0.09 0.00 0.00 178.44 178.20 2bbu h VAL 5 N -0.13 1.38 -0.36 1.22 -1.51 -1.43 -3.03 116.25 112.39 2bbu h VAL 5 Ca 0.03 -1.72 0.04 0.00 -1.23 0.00 0.00 66.70 63.82 2bbu h VAL 5 Cb 0.43 2.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.73 2bbu h VAL 5 CO 0.01 0.51 0.25 0.58 -1.23 0.00 0.00 177.57 177.69 2bbu h VAL 6 N 0.04 0.98 -0.21 7.19 2.07 -0.78 -1.48 116.25 124.07 2bbu h VAL 6 Ca -0.02 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2bbu h VAL 6 Cb 1.02 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2bbu h VAL 6 CO 0.08 0.06 -0.15 0.78 0.02 0.00 0.00 177.57 178.36 2bbu h ASN 7 N 0.31 0.33 0.53 0.57 4.21 -1.34 -2.90 115.58 117.28 2bbu h ASN 7 Ca 0.15 -0.08 -0.21 0.00 1.21 0.00 0.00 56.30 57.38 2bbu h ASN 7 Cb 0.23 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 2bbu h ASN 7 CO -0.03 0.51 -0.91 0.00 -1.29 0.00 0.00 177.43 175.71 2bbu h ALA 8 N 1.53 0.46 -0.87 -0.83 0.00 -1.32 -3.18 119.26 115.05 2bbu h ALA 8 Ca 0.06 -0.73 0.09 0.00 0.00 0.00 0.00 54.91 54.33 2bbu h ALA 8 Cb 0.46 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2bbu h ALA 8 CO 0.03 0.89 0.56 -0.39 0.00 0.00 0.00 179.25 180.35 2bbu h VAL 9 N 0.14 0.99 -0.79 0.00 -1.51 -1.29 0.15 116.25 113.94 2bbu h VAL 9 Ca -0.06 -0.31 0.08 0.00 -1.23 0.00 0.00 66.70 65.19 2bbu h VAL 9 Cb 1.54 0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 30.66 2bbu h VAL 9 CO 0.14 0.16 0.44 0.03 -1.23 0.00 0.00 177.57 177.12 2bbu h ARG 10 N 0.89 0.74 0.05 5.19 3.08 -1.55 1.32 114.38 124.09 2bbu h ARG 10 Ca 0.39 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.30 2bbu h ARG 10 Cb 0.35 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.24 2bbu h ARG 10 CO -0.16 0.49 -0.41 0.87 -1.07 0.00 0.00 179.97 179.70 2bbu h LYS 11 N 0.77 0.19 -0.63 0.04 1.57 -1.23 -3.13 116.57 114.16 2bbu h LYS 11 Ca 0.37 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2bbu h LYS 11 Cb 0.31 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2bbu h LYS 11 CO -0.23 1.06 0.06 -0.07 -0.57 0.00 0.00 179.45 179.70 2bbu h LEU 12 N -0.54 1.02 -1.61 2.94 4.07 -0.50 -2.55 115.31 118.14 2bbu h LEU 12 Ca -0.06 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2bbu h LEU 12 Cb 1.24 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.69 2bbu h LEU 12 CO 0.08 1.04 0.27 1.56 -1.08 0.00 0.00 178.44 180.30 2bbu h GLN 13 N 0.98 0.53 0.00 1.13 4.20 0.16 -1.22 115.11 120.88 2bbu h GLN 13 Ca 0.19 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 2bbu h GLN 13 Cb 0.48 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2bbu h GLN 13 CO 0.02 0.35 -0.59 0.93 -0.67 0.00 0.00 178.83 178.87 2bbu h GLU 14 N 0.54 0.00 -0.71 1.46 5.08 -1.40 -3.13 114.58 116.42 2bbu h GLU 14 Ca 0.15 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2bbu h GLU 14 Cb -0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2bbu h GLU 14 CO -0.03 0.59 0.46 1.03 -1.00 0.00 0.00 179.01 180.05 2bbu h SER 15 N 0.00 0.77 0.00 1.42 0.87 -0.96 -3.46 113.55 112.18 2bbu h SER 15 Ca -0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2bbu h SER 15 Cb 1.05 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2bbu h SER 15 CO 0.08 0.54 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 2bbu n GLY 16 N -1.29 0.95 0.00 5.77 0.00 -1.18 -4.95 105.19 104.48 2bbu n GLY 16 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.09 0.00 -3.37 1.61 1.16 -1.22 -4.37 117.46 109.17 2bbu n PHE 17 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.19 2bbu n PHE 17 Cb 0.00 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.78 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 -0.23 3.24 0.06 2.97 5.04 -1.26 -4.48 117.35 122.69 2bbu s TYR 18 Ca 0.00 0.38 0.04 0.00 -2.44 0.00 0.00 57.07 55.05 2bbu s TYR 18 Cb 0.00 -2.61 -0.04 0.00 0.35 0.00 0.00 41.96 39.66 2bbu s TYR 18 CO 0.00 -0.27 -0.02 -1.58 -1.34 0.00 0.00 175.55 172.35 2bbu s TRP 19 N 2.10 2.97 -0.04 4.97 0.52 -1.22 -4.82 118.94 123.42 2bbu s TRP 19 Ca 0.15 -0.02 0.14 0.00 0.02 0.00 0.00 56.10 56.39 2bbu s TRP 19 Cb -0.16 -1.57 0.25 0.00 -1.15 0.00 0.00 33.47 30.85 2bbu s TRP 19 CO 0.10 0.46 1.11 0.43 0.02 0.00 0.00 176.95 179.07 2bbu n SER 20 N 0.88 0.89 -0.30 2.95 7.64 -1.26 -4.15 113.62 120.27 2bbu n SER 20 Ca -0.12 -2.38 0.04 0.00 1.01 0.00 0.00 58.87 57.41 2bbu n SER 20 Cb 0.52 -0.31 0.04 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.13 2.45 -2.22 -0.43 0.00 -1.26 -4.84 120.51 114.08 2bbu n ALA 21 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2bbu n ALA 21 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.38 0.00 -2.91 0.00 0.24 -1.26 -5.09 118.33 109.69 2bbu n VAL 22 Ca 0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.16 2bbu n VAL 22 Cb 0.20 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 32.00 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 2.02 2.98 0.00 3.34 2.01 -1.26 -4.78 115.64 119.96 2bbu s THR 23 Ca 0.00 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2bbu s THR 23 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2bbu s THR 23 CO 0.00 -0.02 0.43 0.61 -0.69 0.00 0.00 174.62 174.95 2bbu n GLY 24 N -2.01 -3.12 0.08 4.40 0.00 -1.26 -0.33 105.19 102.95 2bbu n GLY 24 Ca 0.07 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 1.17 -0.02 0.00 -1.96 -3.27 103.07 99.10 2bbu h GLY 25 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.11 2bbu h GLY 25 CO 0.00 0.22 0.48 0.83 0.00 0.00 0.00 176.54 178.07 2bbu h GLU 26 N 0.03 0.85 0.05 4.80 5.08 -1.95 0.78 114.58 124.23 2bbu h GLU 26 Ca -0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2bbu h GLU 26 Cb 1.76 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2bbu h GLU 26 CO 0.15 0.56 -0.03 0.00 -1.00 0.00 0.00 179.01 178.69 2bbu h ALA 27 N 1.58 -0.07 -0.39 3.43 0.00 -0.72 0.25 119.26 123.33 2bbu h ALA 27 Ca 0.29 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2bbu h ALA 27 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bbu h ALA 27 CO -0.08 -0.50 -0.32 -0.91 0.00 0.00 0.00 179.25 177.44 2bbu h ASN 28 N -0.15 0.92 0.40 0.00 2.35 -1.46 -3.17 115.58 114.46 2bbu h ASN 28 Ca -0.01 -0.39 -0.12 0.00 -0.55 0.00 0.00 56.30 55.24 2bbu h ASN 28 Cb 0.13 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2bbu h ASN 28 CO 0.01 1.15 -0.52 -0.07 -1.65 0.00 0.00 177.43 176.36 2bbu h LEU 29 N 0.74 0.14 -0.77 1.61 4.07 0.73 -3.17 115.31 118.67 2bbu h LEU 29 Ca 0.08 -0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.07 2bbu h LEU 29 Cb 0.88 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.51 2bbu h LEU 29 CO 0.08 0.64 0.40 0.17 -1.08 0.00 0.00 178.44 178.65 2bbu h LEU 30 N 0.11 0.53 -0.52 1.67 8.10 -0.46 1.24 115.31 125.97 2bbu h LEU 30 Ca 0.00 0.06 -0.16 0.00 0.11 0.00 0.00 57.88 57.89 2bbu h LEU 30 Cb 0.95 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 41.13 2bbu h LEU 30 CO 0.07 0.29 -0.61 0.17 -4.11 0.00 0.00 178.44 174.25 2bbu h LEU 31 N 0.66 0.49 -0.85 0.17 -0.00 -1.69 -2.11 115.31 111.97 2bbu h LEU 31 Ca 0.38 -0.28 -0.12 0.00 -0.00 0.00 0.00 57.88 57.86 2bbu h LEU 31 Cb 0.42 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2bbu h LEU 31 CO -0.28 0.98 -0.48 0.77 -0.00 0.00 0.00 178.44 179.43 2bbu h SER 32 N 0.32 0.24 1.88 0.17 4.64 -0.96 0.22 113.55 120.07 2bbu h SER 32 Ca -0.01 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2bbu h SER 32 Cb 1.15 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2bbu h SER 32 CO 0.11 0.69 -0.12 0.00 -0.87 0.00 0.00 176.83 176.64 2bbu h ALA 33 N 1.32 0.93 -2.25 5.18 0.00 0.16 -3.35 119.26 121.25 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 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bbu h ALA 33 CO 0.07 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.84 2bbu n GLU 34 N -3.12 0.00 -1.09 0.00 -0.58 -0.81 -4.79 120.64 110.25 2bbu n GLU 34 Ca 0.04 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.45 2bbu n GLU 34 Cb 0.57 -0.03 -0.02 0.00 -0.57 0.00 0.00 31.44 31.39 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 -1.46 2.69 -1.57 3.49 -0.04 0.76 -4.94 135.00 133.94 2bbu n PRO 35 Ca 0.00 -1.89 -0.44 0.00 -0.04 0.00 0.00 63.50 61.13 2bbu n PRO 35 Cb 0.00 -2.72 -0.01 0.00 -0.04 0.00 0.00 33.50 30.74 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 4.53 -0.42 0.00 0.55 0.00 -1.05 -2.99 120.51 121.13 2bbu n ALA 36 Ca 0.58 0.33 0.00 0.00 0.00 0.00 0.00 53.44 54.36 2bbu n ALA 36 Cb 0.22 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 1.32 1.00 3.05 0.00 0.00 -1.26 -5.03 105.19 104.27 2bbu n GLY 37 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2bbu n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbu s THR 38 N -2.00 0.61 -0.00 2.61 -4.23 -1.16 -4.34 115.64 107.13 2bbu s THR 38 Ca 0.00 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2bbu s THR 38 Cb 0.00 -0.62 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 2bbu s THR 38 CO 0.00 -0.22 -0.23 0.72 -0.54 0.00 0.00 174.62 174.36 2bbu s PHE 39 N -1.03 2.01 0.10 3.99 -0.71 -1.14 -3.91 117.98 117.30 2bbu s PHE 39 Ca -0.05 -0.38 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 2bbu s PHE 39 Cb -0.08 -1.27 -0.04 0.00 -1.21 0.00 0.00 43.02 40.42 2bbu s PHE 39 CO 0.00 -0.00 -0.08 -1.17 -1.34 0.00 0.00 175.22 172.63 2bbu s LEU 40 N -0.69 2.47 -0.12 -1.99 0.20 -1.13 -4.32 118.68 113.10 2bbu s LEU 40 Ca 0.09 -0.93 0.00 0.00 0.69 0.00 0.00 54.13 53.98 2bbu s LEU 40 Cb -0.09 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.48 2bbu s LEU 40 CO -0.00 -0.38 -0.14 -0.51 -0.29 0.00 0.00 176.35 175.03 2bbu s ILE 41 N -3.13 2.99 0.01 6.68 2.07 -1.26 -1.76 121.20 126.80 2bbu s ILE 41 Ca 0.09 -0.69 0.04 0.00 -1.41 0.00 0.00 60.65 58.69 2bbu s ILE 41 Cb 0.02 -2.25 -0.03 0.00 0.13 0.00 0.00 42.46 40.33 2bbu s ILE 41 CO -0.02 0.53 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.83 2bbu s ARG 42 N 0.30 2.41 -0.34 3.50 6.06 -0.14 -3.38 118.95 127.36 2bbu s ARG 42 Ca -0.11 -0.79 -0.19 0.00 -2.50 0.00 0.00 55.73 52.14 2bbu s ARG 42 Cb -0.16 -2.40 -0.00 0.00 0.06 0.00 0.00 34.95 32.45 2bbu s ARG 42 CO 0.06 0.59 0.56 0.34 -2.50 0.00 0.00 175.30 174.35 2bbu s ASP 43 N -1.36 6.38 -0.21 -2.12 -1.08 -1.26 -1.97 116.67 115.06 2bbu s ASP 43 Ca 0.16 0.14 -0.19 0.00 -0.52 0.00 0.00 52.55 52.13 2bbu s ASP 43 Cb -0.11 -2.29 -0.03 0.00 -1.46 0.00 0.00 42.92 39.03 2bbu s ASP 43 CO 0.06 -0.49 0.55 -0.55 0.52 0.00 0.00 175.17 175.26 2bbu s SER 44 N 1.73 6.58 -1.17 -0.34 0.15 -1.03 -4.89 113.70 114.74 2bbu s SER 44 Ca 0.21 0.70 -0.22 0.00 0.70 0.00 0.00 55.95 57.34 2bbu s SER 44 Cb -0.15 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2bbu s SER 44 CO 0.13 -0.23 1.87 -0.94 1.20 0.00 0.00 173.24 175.27 2bbu s SER 45 N 1.25 5.47 0.00 5.45 1.04 -1.26 -4.20 113.70 121.45 2bbu s SER 45 Ca 0.25 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2bbu s SER 45 Cb -0.16 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2bbu s SER 45 CO 0.10 -2.58 0.00 0.47 0.98 0.00 0.00 173.24 172.20 2bbu n ASP 46 N 12.88 1.05 -0.07 7.02 9.92 -1.26 -5.02 116.55 141.08 2bbu n ASP 46 Ca 0.45 -0.34 0.12 0.00 -0.53 0.00 0.00 54.79 54.48 2bbu n ASP 46 Cb 0.47 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 41.22 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bbu n GLN 47 N -0.16 0.25 -0.00 -1.24 10.64 -1.26 -3.91 117.38 121.69 2bbu n GLN 47 Ca 0.00 -0.15 0.06 0.00 -1.83 0.00 0.00 57.00 55.09 2bbu n GLN 47 Cb 0.00 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 27.79 2bbu n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2bbu n ARG 48 N -1.25 1.57 -2.24 2.61 1.74 -1.26 -5.01 116.66 112.82 2bbu n ARG 48 Ca 0.07 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2bbu n ARG 48 Cb 0.34 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2bbu n ARG 48 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2bbu n HIS 49 N -1.63 -4.79 -3.64 -1.55 8.25 -1.25 -4.18 115.22 106.43 2bbu n HIS 49 Ca 0.00 2.86 -0.02 0.00 -0.26 0.00 0.00 57.72 60.30 2bbu n HIS 49 Cb 0.28 -3.77 -0.03 0.00 1.12 0.00 0.00 29.99 27.58 2bbu n HIS 49 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2bbu s PHE 50 N -0.56 -0.04 0.00 4.41 -0.12 -1.26 -4.64 117.98 115.76 2bbu s PHE 50 Ca 0.00 0.05 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 2bbu s PHE 50 Cb 0.00 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2bbu s PHE 50 CO 0.00 -0.05 -0.21 -0.59 -0.05 0.00 0.00 175.22 174.32 2bbu s PHE 51 N -1.56 1.85 0.07 3.49 -0.12 -1.26 -2.46 117.98 117.99 2bbu s PHE 51 Ca 0.10 -0.36 0.07 0.00 -0.05 0.00 0.00 56.93 56.69 2bbu s PHE 51 Cb -0.01 -1.17 -0.03 0.00 -0.63 0.00 0.00 43.02 41.18 2bbu s PHE 51 CO -0.05 0.01 -0.18 -0.08 -0.05 0.00 0.00 175.22 174.86 2bbu s THR 52 N -0.58 1.47 0.17 -4.49 -1.32 -0.83 -4.77 115.64 105.29 2bbu s THR 52 Ca 0.08 -1.32 0.11 0.00 -1.21 0.00 0.00 61.69 59.34 2bbu s THR 52 Cb -0.08 -1.34 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 2bbu s THR 52 CO -0.00 -0.02 -0.24 -1.48 -2.21 0.00 0.00 174.62 170.67 2bbu s LEU 53 N -1.58 2.40 0.04 9.08 0.05 -1.25 -0.96 118.68 126.46 2bbu s LEU 53 Ca 0.04 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.39 2bbu s LEU 53 Cb -0.09 -1.12 -0.03 0.00 -2.05 0.00 0.00 46.19 42.90 2bbu s LEU 53 CO 0.03 0.11 -0.04 -0.55 -0.55 0.00 0.00 176.35 175.35 2bbu s SER 54 N -2.48 0.47 0.39 1.48 0.15 -0.72 -3.66 113.70 109.33 2bbu s SER 54 Ca 0.18 -0.70 0.04 0.00 0.70 0.00 0.00 55.95 56.16 2bbu s SER 54 Cb -0.08 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 2bbu s SER 54 CO 0.08 -0.39 0.07 0.54 1.20 0.00 0.00 173.24 174.74 2bbu s VAL 55 N -2.38 1.01 -0.13 4.45 0.11 -1.25 -2.85 120.40 119.35 2bbu s VAL 55 Ca -0.06 -2.00 -0.05 0.00 -2.93 0.00 0.00 61.98 56.94 2bbu s VAL 55 Cb -0.03 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2bbu s VAL 55 CO -0.04 0.00 0.07 -0.75 -3.33 0.00 0.00 175.10 171.05 2bbu s LYS 56 N -3.81 3.47 0.11 1.54 2.36 -1.25 -3.87 119.74 118.29 2bbu s LYS 56 Ca 0.27 -0.29 -0.26 0.00 -2.55 0.00 0.00 55.97 53.13 2bbu s LYS 56 Cb 0.05 -3.07 0.08 0.00 -1.05 0.00 0.00 37.83 33.84 2bbu s LYS 56 CO 0.13 0.58 1.03 0.95 1.55 0.00 0.00 175.35 179.59 2bbu s THR 57 N -0.51 0.00 0.30 3.43 -4.23 -1.26 -4.22 115.64 109.15 2bbu s THR 57 Ca 0.10 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 2bbu s THR 57 Cb -0.12 -1.94 0.33 0.00 1.34 0.00 0.00 72.50 72.11 2bbu s THR 57 CO 0.02 0.00 1.63 -0.61 -0.54 0.00 0.00 174.62 175.12 2bbu h GLN 58 N 2.00 0.17 -0.57 3.99 4.15 -1.98 0.33 115.11 123.20 2bbu h GLN 58 Ca -0.25 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.24 2bbu h GLN 58 Cb 1.22 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.81 2bbu h GLN 58 CO 0.26 0.11 0.20 1.03 -1.93 0.00 0.00 178.83 178.50 2bbu h SER 59 N 0.17 0.18 -4.25 -0.69 0.87 -1.92 -3.48 113.55 104.43 2bbu h SER 59 Ca 0.58 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 2bbu h SER 59 Cb 1.20 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2bbu h SER 59 CO -0.70 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.33 2bbu n GLY 60 N -1.28 3.91 3.61 5.77 0.00 0.12 -5.03 105.19 112.28 2bbu n GLY 60 Ca 0.07 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.21 4.29 0.03 2.61 -4.23 -1.26 -4.26 115.64 110.62 2bbu s THR 61 Ca 0.00 1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 61.83 2bbu s THR 61 Cb 0.00 -4.55 -0.02 0.00 1.34 0.00 0.00 72.50 69.27 2bbu s THR 61 CO 0.00 -0.87 0.04 -1.59 -0.54 0.00 0.00 174.62 171.66 2bbu s LYS 62 N 4.23 0.47 0.22 3.99 0.00 -1.25 -4.99 119.74 122.40 2bbu s LYS 62 Ca 0.47 -0.70 0.11 0.00 0.00 0.00 0.00 55.97 55.85 2bbu s LYS 62 Cb -0.08 0.18 -0.05 0.00 0.00 0.00 0.00 37.83 37.88 2bbu s LYS 62 CO 0.27 -0.10 -0.22 0.54 0.00 0.00 0.00 175.35 175.84 2bbu s ASN 63 N -1.86 3.41 0.01 0.03 2.20 -1.26 -3.86 114.94 113.61 2bbu s ASN 63 Ca -0.09 -0.92 0.02 0.00 -0.94 0.00 0.00 52.86 50.93 2bbu s ASN 63 Cb -0.04 -0.26 -0.01 0.00 -2.00 0.00 0.00 41.25 38.94 2bbu s ASN 63 CO -0.03 0.08 -0.08 -0.76 -2.94 0.00 0.00 177.10 173.37 2bbu s LEU 64 N -2.96 2.06 0.00 3.54 1.43 -1.24 -4.98 118.68 116.54 2bbu s LEU 64 Ca 0.23 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2bbu s LEU 64 Cb -0.07 -0.36 0.06 0.00 0.03 0.00 0.00 46.19 45.85 2bbu s LEU 64 CO 0.11 0.04 0.49 -2.11 0.23 0.00 0.00 176.35 175.11 2bbu n ARG 65 N 2.60 0.76 -4.07 1.70 1.85 -1.26 -4.09 116.66 114.16 2bbu n ARG 65 Ca -0.15 -2.54 -0.31 0.00 -1.00 0.00 0.00 57.85 53.85 2bbu n ARG 65 Cb 0.57 0.02 -0.07 0.00 -1.05 0.00 0.00 32.46 31.93 2bbu n ARG 65 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2bbu s ILE 66 N -1.94 4.54 -0.13 8.89 2.07 -1.26 -4.91 121.20 128.45 2bbu s ILE 66 Ca 0.37 -0.71 -0.14 0.00 -1.41 0.00 0.00 60.65 58.77 2bbu s ILE 66 Cb -0.03 -3.16 -0.05 0.00 0.13 0.00 0.00 42.46 39.35 2bbu s ILE 66 CO 0.24 0.17 0.31 -1.10 -1.91 0.00 0.00 174.94 172.65 2bbu s GLN 67 N -2.25 4.15 -0.11 3.50 -1.52 -0.11 -4.87 119.66 118.45 2bbu s GLN 67 Ca 0.28 0.16 -0.03 0.00 -1.95 0.00 0.00 55.36 53.81 2bbu s GLN 67 Cb -0.12 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.26 2bbu s GLN 67 CO 0.20 0.34 0.01 0.00 -0.25 0.00 0.00 175.29 175.59 2bbu s GLU 69 N -0.50 0.77 0.00 0.00 2.12 0.11 -4.94 118.70 116.26 2bbu s GLU 69 Ca 0.09 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.49 2bbu s GLU 69 Cb -0.12 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.21 2bbu s GLU 69 CO 0.02 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 2bbu n GLY 70 N 4.88 0.80 2.03 -1.50 0.00 -1.26 -1.90 105.19 108.24 2bbu n GLY 70 Ca -0.04 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 1.34 3.04 -0.02 0.00 -1.26 -5.04 105.19 103.25 2bbu n GLY 71 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.18 0.02 0.19 1.61 0.15 -0.80 -4.35 113.70 108.35 2bbu s SER 72 Ca 0.20 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.80 2bbu s SER 72 Cb 0.30 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2bbu s SER 72 CO -0.09 -0.24 0.01 -0.36 1.20 0.00 0.00 173.24 173.76 2bbu s PHE 73 N -0.92 2.83 0.19 3.44 0.40 -0.97 0.09 117.98 123.05 2bbu s PHE 73 Ca -0.10 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 55.95 2bbu s PHE 73 Cb -0.06 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.13 2bbu s PHE 73 CO 0.01 0.54 0.40 -1.54 0.70 0.00 0.00 175.22 175.32 2bbu s SER 74 N -3.12 -0.09 0.00 1.36 1.04 0.36 -4.01 113.70 109.25 2bbu s SER 74 Ca 0.28 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2bbu s SER 74 Cb -0.09 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2bbu s SER 74 CO 0.19 -0.99 0.00 -0.11 0.98 0.00 0.00 173.24 173.31 2bbu n LEU 75 N -0.29 0.00 0.00 2.42 7.94 -1.26 -0.94 117.00 124.87 2bbu n LEU 75 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2bbu n LEU 75 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2bbu n LEU 75 CO 0.21 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 178.16 2bbu n GLN 76 N 0.00 -2.06 -1.33 1.96 7.27 -1.26 -4.94 117.38 117.02 2bbu n GLN 76 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.18 2bbu n GLN 76 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 2bbu n GLN 76 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2bbu n SER 77 N 1.19 -6.51 -4.39 1.69 7.64 -1.26 -4.78 113.62 107.20 2bbu n SER 77 Ca 0.00 1.27 -0.29 0.00 1.01 0.00 0.00 58.87 60.87 2bbu n SER 77 Cb 0.00 -4.40 -0.13 0.00 -1.01 0.00 0.00 64.21 58.67 2bbu n SER 77 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2bbu s ASP 78 N -6.51 3.31 -0.53 6.43 1.47 -1.26 -5.01 116.67 114.56 2bbu s ASP 78 Ca 0.00 -0.75 -0.05 0.00 1.18 0.00 0.00 52.55 52.93 2bbu s ASP 78 Cb 0.00 -0.22 -0.12 0.00 -0.34 0.00 0.00 42.92 42.24 2bbu s ASP 78 CO 0.00 0.18 2.47 -0.81 0.68 0.00 0.00 175.17 177.69 2bbu n PRO 79 N 0.90 1.91 0.19 2.11 -0.04 -1.26 -4.44 135.00 134.37 2bbu n PRO 79 Ca -0.18 -1.14 0.07 0.00 -0.04 0.00 0.00 63.50 62.20 2bbu n PRO 79 Cb 0.53 -2.18 0.30 0.00 -0.04 0.00 0.00 33.50 32.12 2bbu n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu h ARG 80 N 4.95 0.00 0.00 0.54 -0.00 -1.96 -2.75 114.38 115.16 2bbu h ARG 80 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.83 2bbu h ARG 80 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 2bbu h ARG 80 CO 0.91 0.34 0.00 -1.13 0.00 0.00 0.00 179.97 180.08 2bbu n SER 81 N -3.39 0.00 -0.03 7.04 3.41 -1.26 -4.54 113.62 114.85 2bbu n SER 81 Ca 0.01 0.42 -0.03 0.00 -0.26 0.00 0.00 58.87 59.01 2bbu n SER 81 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 2bbu n SER 81 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bbu n THR 82 N -0.65 0.45 -3.05 6.66 -2.24 -1.26 -5.03 114.28 109.16 2bbu n THR 82 Ca 0.00 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2bbu n THR 82 Cb 0.00 -0.80 0.06 0.00 -2.10 0.00 0.00 70.33 67.49 2bbu n THR 82 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2bbu n GLN 83 N -2.24 -4.84 0.03 -0.78 0.00 -1.04 -4.96 117.38 103.57 2bbu n GLN 83 Ca -0.11 0.60 -0.11 0.00 -0.00 0.00 0.00 57.00 57.38 2bbu n GLN 83 Cb 0.71 -4.89 -0.08 0.00 0.00 0.00 0.00 30.24 25.98 2bbu n GLN 83 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2bbu h PRO 84 N -1.43 -0.16 -6.07 3.69 0.13 -1.96 -3.46 132.00 122.74 2bbu h PRO 84 Ca -0.42 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.18 2bbu h PRO 84 Cb 1.24 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 2bbu h PRO 84 CO 0.36 0.32 -0.82 0.14 -0.23 0.00 0.00 178.00 177.77 2bbu s VAL 85 N -3.39 1.68 0.14 1.56 -7.23 -1.26 -5.10 120.40 106.79 2bbu s VAL 85 Ca -0.13 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 2bbu s VAL 85 Cb 0.00 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 2bbu s VAL 85 CO 0.51 -0.10 1.22 -2.16 -0.31 0.00 0.00 175.10 174.26 2bbu s PRO 86 N -1.99 4.45 0.00 4.82 0.04 -1.26 -3.16 135.00 137.90 2bbu s PRO 86 Ca 0.07 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2bbu s PRO 86 Cb -0.09 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2bbu s PRO 86 CO 0.04 -0.18 0.00 -2.13 0.04 0.00 0.00 177.00 174.77 2bbu n ARG 87 N 3.10 0.00 -1.89 4.56 3.00 -1.26 -4.54 116.66 119.63 2bbu n ARG 87 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.91 2bbu n ARG 87 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 32.46 32.78 2bbu n ARG 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2bbu n PHE 88 N 0.00 -1.42 -2.24 -0.14 7.35 -1.19 -4.18 117.46 115.65 2bbu n PHE 88 Ca 0.00 0.72 -0.43 0.00 -0.76 0.00 0.00 57.45 56.98 2bbu n PHE 88 Cb 0.00 -2.34 -0.02 0.00 0.35 0.00 0.00 39.48 37.47 2bbu n PHE 88 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 2bbu s ASP 89 N -0.41 6.14 0.00 -2.13 -4.77 -1.26 -2.29 116.67 111.96 2bbu s ASP 89 Ca -0.04 0.90 0.00 0.00 -3.30 0.00 0.00 52.55 50.11 2bbu s ASP 89 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2bbu s ASP 89 CO 0.27 -1.58 0.00 0.00 0.70 0.00 0.00 175.17 174.56 2bbu h VAL 91 N 0.00 0.23 -0.71 0.00 3.04 -1.85 0.13 116.25 117.10 2bbu h VAL 91 Ca 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.80 2bbu h VAL 91 Cb 0.00 0.48 -0.05 0.00 -2.01 0.00 0.00 31.29 29.71 2bbu h VAL 91 CO 0.00 0.00 0.47 0.25 -1.01 0.00 0.00 177.57 177.28 2bbu h LEU 92 N 0.00 0.48 -1.83 3.16 6.46 -1.93 0.12 115.31 121.77 2bbu h LEU 92 Ca 0.24 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 2bbu h LEU 92 Cb 1.51 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.34 2bbu h LEU 92 CO -0.00 0.27 0.25 0.50 -0.62 0.00 0.00 178.44 178.84 2bbu h LYS 93 N 0.52 0.20 -0.23 1.25 1.63 -1.02 0.48 116.57 119.40 2bbu h LYS 93 Ca 0.33 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.02 2bbu h LYS 93 Cb 0.60 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2bbu h LYS 93 CO -0.11 0.13 -0.31 1.25 -3.45 0.00 0.00 179.45 176.97 2bbu h LEU 94 N 0.21 0.48 -1.25 5.20 6.46 -0.91 -2.89 115.31 122.61 2bbu h LEU 94 Ca 0.17 -0.18 0.13 0.00 -0.12 0.00 0.00 57.88 57.87 2bbu h LEU 94 Cb 0.39 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.12 2bbu h LEU 94 CO -0.03 0.77 0.57 0.58 -0.62 0.00 0.00 178.44 179.71 2bbu h VAL 95 N 0.41 0.88 -0.61 1.05 2.07 -0.85 0.88 116.25 120.08 2bbu h VAL 95 Ca 0.05 -0.26 0.18 0.00 0.82 0.00 0.00 66.70 67.49 2bbu h VAL 95 Cb 0.74 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2bbu h VAL 95 CO 0.06 0.14 0.44 -0.74 0.02 0.00 0.00 177.57 177.49 2bbu h HIS 96 N 0.76 0.00 -0.48 1.57 -0.00 -1.51 -0.04 115.15 115.44 2bbu h HIS 96 Ca 0.44 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.69 2bbu h HIS 96 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 2bbu h HIS 96 CO -0.00 0.00 -0.13 1.25 -0.00 0.00 0.00 177.93 179.04 2bbu h HIS 97 N 0.00 1.07 0.00 5.26 6.17 -0.97 -2.47 115.15 124.21 2bbu h HIS 97 Ca 0.29 -0.24 0.00 0.00 0.71 0.00 0.00 60.37 61.14 2bbu h HIS 97 Cb 1.18 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.85 2bbu h HIS 97 CO 0.00 1.03 0.00 1.88 0.71 0.00 0.00 177.93 181.55 2bbu h TYR 98 N 0.80 0.00 -4.88 5.26 0.05 -1.06 -3.40 116.97 113.73 2bbu h TYR 98 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2bbu h TYR 98 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 2bbu h TYR 98 CO 0.05 0.00 -0.64 -1.33 -1.05 0.00 0.00 178.16 175.19 2bbu n MET 99 N -2.41 -2.54 -2.35 4.88 2.81 -0.93 -4.46 117.12 112.12 2bbu n MET 99 Ca 0.02 2.19 -0.41 0.00 -1.81 0.00 0.00 57.70 57.69 2bbu n MET 99 Cb 0.26 -4.92 -0.03 0.00 -0.71 0.00 0.00 33.22 27.82 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2bbu s PRO 100 N -1.88 4.46 0.28 0.03 0.04 -1.26 -4.51 135.00 132.16 2bbu s PRO 100 Ca 0.10 1.90 0.11 0.00 0.04 0.00 0.00 61.00 63.15 2bbu s PRO 100 Cb -0.03 -3.25 0.37 0.00 0.04 0.00 0.00 34.50 31.64 2bbu s PRO 100 CO 0.67 -0.16 1.62 -1.00 0.04 0.00 0.00 177.00 178.17 2bbu h PRO 101 N 5.58 0.00 -7.21 0.56 0.13 -1.87 -3.45 132.00 125.75 2bbu h PRO 101 Ca -0.44 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.20 2bbu h PRO 101 Cb 1.21 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.41 2bbu h PRO 101 CO 0.77 0.60 0.38 -1.25 -0.23 0.00 0.00 178.00 178.27 2bbu s PRO 102 N -3.61 3.32 0.01 1.56 0.04 -1.26 -4.99 135.00 130.07 2bbu s PRO 102 Ca -0.01 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2bbu s PRO 102 Cb 0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2bbu s PRO 102 CO 0.76 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2bbu n GLY 103 N -1.09 -0.00 3.61 0.56 0.00 -1.26 -5.06 105.19 101.94 2bbu n GLY 103 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbu n THR 104 N -2.97 -4.57 0.00 2.61 -2.24 -1.26 -4.95 114.28 100.91 2bbu n THR 104 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2bbu n THR 104 Cb 0.41 -3.71 0.00 0.00 -2.10 0.00 0.00 70.33 64.93 2bbu n THR 104 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bbu n PRO 105 N -1.88 0.00 0.00 -0.78 -0.04 -1.26 -5.09 135.00 125.94 2bbu n PRO 105 Ca -0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2bbu n PRO 105 Cb 0.66 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 0.00 -3.21 3.54 2.88 -1.26 -5.10 113.62 110.47 2bbu n SER 106 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2bbu n SER 106 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 2bbu n SER 106 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2bbu n PHE 107 N 0.00 -0.75 -0.01 0.66 3.01 -1.26 -4.94 117.46 114.17 2bbu n PHE 107 Ca 0.00 0.32 -0.00 0.00 1.01 0.00 0.00 57.45 58.78 2bbu n PHE 107 Cb 0.00 -1.36 -0.00 0.00 -0.01 0.00 0.00 39.48 38.11 2bbu n PHE 107 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2bbu h SER 108 N 3.29 0.00 -0.30 4.37 0.02 -2.07 -3.48 113.55 115.38 2bbu h SER 108 Ca -0.10 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2bbu h SER 108 Cb 1.01 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.38 2bbu h SER 108 CO 0.05 0.10 -0.16 -0.22 -1.14 0.00 0.00 176.83 175.46 2bbu s LEU 109 N -4.91 -0.45 -0.09 5.07 0.20 -1.26 -5.13 118.68 112.12 2bbu s LEU 109 Ca -0.01 -0.37 -0.30 0.00 0.69 0.00 0.00 54.13 54.14 2bbu s LEU 109 Cb 0.00 0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 46.31 2bbu s LEU 109 CO 0.02 -0.03 1.34 -2.16 -0.29 0.00 0.00 176.35 175.22 2bbu s PRO 110 N 1.49 4.26 1.08 0.98 0.04 -1.26 -5.02 135.00 136.58 2bbu s PRO 110 Ca 0.19 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 2bbu s PRO 110 Cb 0.06 -3.71 0.23 0.00 0.04 0.00 0.00 34.50 31.13 2bbu s PRO 110 CO -0.12 -0.64 1.16 -1.25 0.04 0.00 0.00 177.00 176.19 2bbu s PRO 111 N 3.04 -0.27 -0.80 0.56 0.04 -1.26 -4.84 135.00 131.47 2bbu s PRO 111 Ca 0.60 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.35 2bbu s PRO 111 Cb -0.26 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 2bbu s PRO 111 CO 0.21 -3.08 2.29 0.99 0.04 0.00 0.00 177.00 177.44 2bbu s THR 112 N -3.25 3.12 0.53 1.26 2.01 -1.26 -4.92 115.64 113.14 2bbu s THR 112 Ca 0.70 -0.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.45 2bbu s THR 112 Cb -0.10 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.06 2bbu s THR 112 CO 0.55 -0.26 1.00 -0.70 -0.69 0.00 0.00 174.62 174.51 2bbu s GLU 113 N 8.37 3.87 0.85 4.92 2.12 -1.26 -5.04 118.70 132.51 2bbu s GLU 113 Ca 0.87 0.94 -0.12 0.00 0.36 0.00 0.00 54.97 57.02 2bbu s GLU 113 Cb -0.12 -2.12 0.10 0.00 0.26 0.00 0.00 34.13 32.25 2bbu s GLU 113 CO 0.07 -0.34 1.10 -1.25 -0.54 0.00 0.00 175.26 174.30 2bbu s PRO 114 N -4.24 1.67 -1.39 4.30 0.04 -1.26 -3.93 135.00 130.20 2bbu s PRO 114 Ca 0.59 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 2bbu s PRO 114 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2bbu s PRO 114 CO 0.35 -1.92 0.40 0.43 0.04 0.00 0.00 177.00 176.30 2bbu n SER 115 N -3.64 -0.90 0.00 6.66 7.64 -1.26 -3.87 113.62 118.25 2bbu n SER 115 Ca 0.07 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2bbu n SER 115 Cb 0.56 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.03 2bbu n SER 115 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2bbu n SER 116 N -2.88 0.00 -0.72 6.43 7.64 -1.25 -4.59 113.62 118.25 2bbu n SER 116 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2bbu n SER 116 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.00 0.00 -3.87 1.43 4.71 -1.25 -4.46 120.64 117.21 2bbu n GLU 117 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 2bbu n GLU 117 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 31.44 30.30 2bbu n GLU 117 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2bbu s VAL 118 N -2.18 2.94 -0.46 2.62 1.01 -1.26 -4.98 120.40 118.09 2bbu s VAL 118 Ca 0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 61.98 59.83 2bbu s VAL 118 Cb 0.00 -3.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 2bbu s VAL 118 CO 0.00 -0.61 2.39 -0.81 0.00 0.00 0.00 175.10 176.07 2bbu n PRO 119 N 4.49 1.76 0.00 2.72 -0.04 -1.26 -4.93 135.00 137.74 2bbu n PRO 119 Ca -0.01 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2bbu n PRO 119 Cb 0.42 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 2bbu n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2bbu n GLU 120 N 3.31 0.00 0.07 0.54 2.13 -1.26 -4.03 120.64 121.40 2bbu n GLU 120 Ca 0.38 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 58.13 2bbu n GLU 120 Cb 0.39 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.06 2bbu n GLU 120 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2bbu h GLN 121 N 0.00 -0.27 -6.29 5.31 4.20 -2.04 -3.43 115.11 112.59 2bbu h GLN 121 Ca 0.00 0.02 -0.57 0.00 0.06 0.00 0.00 58.65 58.16 2bbu h GLN 121 Cb 0.00 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2bbu h GLN 121 CO 0.00 -0.05 1.02 -1.25 -0.67 0.00 0.00 178.83 177.88 2bbu s PRO 122 N -2.78 3.94 -0.25 1.46 0.04 -1.26 -4.96 135.00 131.19 2bbu s PRO 122 Ca -0.07 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 2bbu s PRO 122 Cb 0.00 -3.92 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2bbu s PRO 122 CO 0.25 -1.09 1.45 -1.25 0.04 0.00 0.00 177.00 176.39 2bbu s PRO 123 N 4.21 3.88 -0.01 0.56 0.04 -1.26 -4.95 135.00 137.47 2bbu s PRO 123 Ca 0.62 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2bbu s PRO 123 Cb -0.21 -3.95 0.10 0.00 0.04 0.00 0.00 34.50 30.48 2bbu s PRO 123 CO 0.24 -1.18 0.87 0.00 0.04 0.00 0.00 177.00 176.97 2bbu s ALA 124 N 4.70 -1.82 -0.37 8.56 0.00 -1.26 -5.13 121.76 126.45 2bbu s ALA 124 Ca 0.63 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.67 2bbu s ALA 124 Cb -0.21 0.29 0.15 0.00 0.00 0.00 0.00 23.12 23.36 2bbu s ALA 124 CO 0.26 -0.63 0.34 1.14 0.00 0.00 0.00 175.76 176.86 2bbu s GLN 125 N -2.83 0.61 0.00 0.00 -2.07 -1.26 -5.02 119.66 109.09 2bbu s GLN 125 Ca 0.03 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 2bbu s GLN 125 Cb -0.01 -0.85 0.00 0.00 -1.09 0.00 0.00 33.01 31.06 2bbu s GLN 125 CO -0.07 -1.20 0.00 0.00 -1.32 0.00 0.00 175.29 172.70 2bbu n ALA 126 N 4.21 0.00 -2.68 2.60 0.00 -1.26 -5.12 120.51 118.26 2bbu n ALA 126 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 2bbu n ALA 126 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2bbu s LEU 127 N 0.00 4.19 0.03 0.00 2.34 -1.26 -4.96 118.68 119.02 2bbu s LEU 127 Ca 0.00 0.78 -0.20 0.00 0.06 0.00 0.00 54.13 54.77 2bbu s LEU 127 Cb 0.00 -2.77 -0.18 0.00 -0.56 0.00 0.00 46.19 42.69 2bbu s LEU 127 CO 0.00 -0.14 1.23 1.55 -1.06 0.00 0.00 176.35 177.93 2bbu h PRO 128 N 7.21 0.41 0.00 1.48 0.13 -2.02 -3.48 132.00 135.73 2bbu h PRO 128 Ca -0.36 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2bbu h PRO 128 Cb 1.16 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2bbu h PRO 128 CO 0.75 0.93 0.00 0.41 -0.23 0.00 0.00 178.00 179.86 2bbu n GLY 129 N 0.59 0.73 0.28 1.56 0.00 -1.26 -5.06 105.19 102.02 2bbu n GLY 129 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2bbu n GLY 129 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bbu h SER 130 N 0.00 -0.54 -6.47 1.61 0.02 -1.96 -3.48 113.55 102.73 2bbu h SER 130 Ca 0.00 -0.06 -0.38 0.00 -0.84 0.00 0.00 61.79 60.51 2bbu h SER 130 Cb 0.00 0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.69 2bbu h SER 130 CO 0.00 -0.25 -1.06 0.35 -1.14 0.00 0.00 176.83 174.73 2bbu n THR 131 N -5.29 -4.60 -2.27 -2.27 -2.24 -1.26 -4.79 114.28 91.55 2bbu n THR 131 Ca -0.11 0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 2bbu n THR 131 Cb 0.30 -3.80 -0.02 0.00 -2.10 0.00 0.00 70.33 64.71 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 -3.39 3.86 0.00 -0.78 0.04 -1.26 -4.94 135.00 128.53 2bbu s PRO 132 Ca 0.22 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2bbu s PRO 132 Cb -0.03 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2bbu s PRO 132 CO 0.87 -1.20 0.30 1.17 0.04 0.00 0.00 177.00 178.19 2bbu n LYS 133 N 7.47 0.00 -2.43 4.56 4.81 -1.26 -5.04 118.16 126.27 2bbu n LYS 133 Ca 0.17 0.38 -0.02 0.00 -0.87 0.00 0.00 58.31 57.97 2bbu n LYS 133 Cb 0.46 -1.05 -0.01 0.00 0.02 0.00 0.00 35.03 34.44 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 -1.64 -4.94 0.00 1.64 1.74 -1.26 -5.05 116.66 107.15 2bbu n ARG 134 Ca 0.00 3.61 0.00 0.00 -0.77 0.00 0.00 57.85 60.69 2bbu n ARG 134 Cb 0.00 -4.72 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbu n ALA 135 N 1.84 0.00 -2.80 7.54 0.00 -1.26 -5.14 120.51 120.69 2bbu n ALA 135 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 2bbu n ALA 135 Cb 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 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 3.22 0.23 0.00 1.13 -1.26 -4.99 117.35 115.68 2bbu s TYR 136 Ca 0.00 0.00 -0.17 0.00 -1.41 0.00 0.00 57.07 55.49 2bbu s TYR 136 Cb 0.00 -2.22 0.02 0.00 -1.10 0.00 0.00 41.96 38.66 2bbu s TYR 136 CO 0.00 -0.04 0.55 1.52 -2.51 0.00 0.00 175.55 175.07 2bbu s TYR 137 N 1.07 0.01 0.06 -3.49 -0.85 -1.26 -3.42 117.35 109.47 2bbu s TYR 137 Ca 0.06 -0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 2bbu s TYR 137 Cb -0.14 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 2bbu s TYR 137 CO 0.04 -1.01 0.11 0.42 -1.52 0.00 0.00 175.55 173.59 2bbu s ILE 138 N -3.93 4.73 -0.13 -3.49 1.09 -1.19 -4.93 121.20 113.36 2bbu s ILE 138 Ca 0.13 -0.63 -0.13 0.00 -1.10 0.00 0.00 60.65 58.92 2bbu s ILE 138 Cb -0.02 -3.27 -0.05 0.00 -1.06 0.00 0.00 42.46 38.06 2bbu s ILE 138 CO 0.03 0.16 0.28 -0.31 -0.10 0.00 0.00 174.94 175.00 2bbu s TYR 139 N -1.38 3.53 -0.10 3.97 1.51 -1.26 -2.36 117.35 121.26 2bbu s TYR 139 Ca 0.29 0.64 0.02 0.00 -1.01 0.00 0.00 57.07 57.02 2bbu s TYR 139 Cb -0.12 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 2bbu s TYR 139 CO 0.22 0.39 -0.15 0.45 -1.11 0.00 0.00 175.55 175.35 2bbu s SER 140 N -0.03 2.31 -0.88 2.29 0.15 0.28 -4.85 113.70 112.96 2bbu s SER 140 Ca 0.17 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 2bbu s SER 140 Cb -0.13 -1.04 0.01 0.00 -1.71 0.00 0.00 66.02 63.15 2bbu s SER 140 CO 0.05 0.02 0.62 0.61 1.20 0.00 0.00 173.24 175.74 2bbu n GLY 141 N 4.11 -1.25 1.85 9.45 0.00 -1.26 0.22 105.19 118.31 2bbu n GLY 141 Ca -0.20 0.56 -0.08 0.00 0.00 0.00 0.00 46.02 46.31 2bbu n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 142 N -1.72 0.43 3.19 -0.02 0.00 -1.26 -4.88 105.19 100.94 2bbu n GLY 142 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2bbu n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbu s GLU 143 N -3.32 3.12 -0.56 1.61 2.56 0.58 -5.07 118.70 117.61 2bbu s GLU 143 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 54.97 53.94 2bbu s GLU 143 Cb 0.00 -2.64 0.04 0.00 2.00 0.00 0.00 34.13 33.53 2bbu s GLU 143 CO 0.00 -0.13 1.01 0.15 -0.56 0.00 0.00 175.26 175.73 2bbu s LYS 144 N 1.15 3.37 -0.58 4.30 3.01 -1.26 0.98 119.74 130.70 2bbu s LYS 144 Ca 0.01 -0.15 -0.16 0.00 -1.01 0.00 0.00 55.97 54.66 2bbu s LYS 144 Cb -0.14 -4.05 0.14 0.00 -1.01 0.00 0.00 37.83 32.77 2bbu s LYS 144 CO -0.07 -1.56 0.56 0.42 0.51 0.00 0.00 175.35 175.22 2bbu s ILE 145 N 4.24 5.20 0.02 2.17 1.09 -0.99 -4.98 121.20 127.94 2bbu s ILE 145 Ca 0.33 -1.54 -0.30 0.00 -1.10 0.00 0.00 60.65 58.04 2bbu s ILE 145 Cb -0.11 -4.38 -0.05 0.00 -1.06 0.00 0.00 42.46 36.86 2bbu s ILE 145 CO 0.20 -0.93 1.27 -2.16 -0.10 0.00 0.00 174.94 173.23 2bbu s PRO 146 N 1.60 4.36 -0.06 2.79 0.04 -1.26 -3.15 135.00 139.32 2bbu s PRO 146 Ca 0.06 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2bbu s PRO 146 Cb -0.27 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2bbu s PRO 146 CO 0.02 -0.42 -0.16 -0.48 0.04 0.00 0.00 177.00 176.00 2bbu s LEU 147 N 1.77 1.86 -0.27 -3.56 2.34 -1.22 -4.95 118.68 114.66 2bbu s LEU 147 Ca 0.60 -0.36 -0.07 0.00 0.06 0.00 0.00 54.13 54.36 2bbu s LEU 147 Cb -0.29 -0.98 -0.01 0.00 -0.56 0.00 0.00 46.19 44.35 2bbu s LEU 147 CO 0.26 0.12 0.07 0.54 -1.06 0.00 0.00 176.35 176.28 2bbu s VAL 148 N 0.25 4.09 -0.24 1.48 0.11 -1.26 -4.09 120.40 120.74 2bbu s VAL 148 Ca -0.09 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 58.45 2bbu s VAL 148 Cb -0.13 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2bbu s VAL 148 CO 0.03 0.23 0.13 -1.48 -3.33 0.00 0.00 175.10 170.68 2bbu s LEU 149 N 1.56 3.85 0.00 2.54 0.05 -1.26 -4.88 118.68 120.53 2bbu s LEU 149 Ca 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.21 2bbu s LEU 149 Cb -0.16 -2.03 0.00 0.00 -2.05 0.00 0.00 46.19 41.95 2bbu s LEU 149 CO 0.02 0.03 0.33 -0.24 -0.55 0.00 0.00 176.35 175.94 2bbu n SER 150 N 4.54 0.00 -4.62 1.48 2.88 -1.26 -4.61 113.62 112.02 2bbu n SER 150 Ca -0.15 -1.10 -0.36 0.00 -1.33 0.00 0.00 58.87 55.92 2bbu n SER 150 Cb 0.52 -0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 2bbu n SER 150 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2bbu s ARG 151 N 0.00 3.98 0.21 -1.46 6.06 -1.26 -4.52 118.95 121.96 2bbu s ARG 151 Ca 0.00 -0.32 -0.30 0.00 -2.50 0.00 0.00 55.73 52.61 2bbu s ARG 151 Cb 0.00 -3.48 -0.08 0.00 0.06 0.00 0.00 34.95 31.44 2bbu s ARG 151 CO 0.00 0.02 1.00 -1.25 -2.50 0.00 0.00 175.30 172.57 2bbu s PRO 152 N 1.15 4.74 -0.21 5.12 0.04 -1.26 -2.88 135.00 141.70 2bbu s PRO 152 Ca 0.07 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 2bbu s PRO 152 Cb -0.14 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2bbu s PRO 152 CO 0.05 0.32 0.54 -1.17 0.04 0.00 0.00 177.00 176.78 2bbu s LEU 153 N -0.83 4.13 -0.47 -3.56 2.96 -1.26 -4.92 118.68 114.72 2bbu s LEU 153 Ca 0.44 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 2bbu s LEU 153 Cb -0.27 -2.74 0.13 0.00 0.50 0.00 0.00 46.19 43.81 2bbu s LEU 153 CO 0.34 -0.21 0.24 -0.44 -1.32 0.00 0.00 176.35 174.96 2bbu s SER 154 N 1.21 3.99 0.04 3.68 0.01 -1.26 -3.46 113.70 117.90 2bbu s SER 154 Ca 0.25 -2.79 -0.05 0.00 1.31 0.00 0.00 55.95 54.66 2bbu s SER 154 Cb -0.16 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 2bbu s SER 154 CO 0.10 -0.25 0.10 -0.94 0.41 0.00 0.00 173.24 172.65 2bbu s SER 155 N 0.07 0.19 0.00 2.44 1.04 -1.26 -5.12 113.70 111.06 2bbu s SER 155 Ca 0.17 -0.56 0.18 0.00 0.48 0.00 0.00 55.95 56.22 2bbu s SER 155 Cb -0.25 0.23 1.08 0.00 0.10 0.00 0.00 66.02 67.18 2bbu s SER 155 CO -0.00 -0.53 1.47 0.59 0.98 0.00 0.00 173.24 175.76