#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbu h TYR 2 N 0.00 0.76 -0.70 -0.32 -0.00 -1.89 -2.03 116.97 112.79 2bbu h TYR 2 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 58.73 58.83 2bbu h TYR 2 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 36.73 36.45 2bbu h TYR 2 CO 0.00 0.58 0.47 0.37 -0.00 0.00 0.00 178.16 179.58 2bbu h GLN 3 N 0.76 0.43 -0.27 0.10 4.15 -1.95 -0.97 115.11 117.36 2bbu h GLN 3 Ca 0.19 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 2bbu h GLN 3 Cb 0.12 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2bbu h GLN 3 CO -0.02 0.28 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.04 2bbu h LEU 4 N 0.44 0.51 -0.11 -2.39 3.38 -1.75 -2.06 115.31 113.33 2bbu h LEU 4 Ca 0.34 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2bbu h LEU 4 Cb 0.71 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2bbu h LEU 4 CO -0.10 0.75 0.02 0.58 0.09 0.00 0.00 178.44 179.78 2bbu h VAL 5 N 0.26 1.21 -0.38 1.22 2.07 -1.27 -2.62 116.25 116.73 2bbu h VAL 5 Ca 0.07 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2bbu h VAL 5 Cb 0.52 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2bbu h VAL 5 CO 0.02 0.19 0.26 1.62 0.02 0.00 0.00 177.57 179.68 2bbu h VAL 6 N -0.04 0.98 -0.37 2.57 3.04 -1.23 0.16 116.25 121.37 2bbu h VAL 6 Ca 0.03 -0.11 -0.10 0.00 -1.01 0.00 0.00 66.70 65.51 2bbu h VAL 6 Cb 0.27 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 2bbu h VAL 6 CO 0.00 0.06 -0.15 0.78 -1.01 0.00 0.00 177.57 177.25 2bbu h ASN 7 N 0.33 0.78 0.01 3.17 2.35 -1.08 -1.35 115.58 119.78 2bbu h ASN 7 Ca 0.16 -0.39 -0.14 0.00 -0.55 0.00 0.00 56.30 55.38 2bbu h ASN 7 Cb 0.23 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.40 2bbu h ASN 7 CO -0.04 1.00 -0.55 0.00 -1.65 0.00 0.00 177.43 176.20 2bbu h ALA 8 N 0.80 0.06 -0.97 -0.83 0.00 -1.00 -3.20 119.26 114.11 2bbu h ALA 8 Ca 0.09 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2bbu h ALA 8 Cb 0.69 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2bbu h ALA 8 CO 0.05 0.30 0.64 -0.39 0.00 0.00 0.00 179.25 179.85 2bbu h VAL 9 N -0.20 1.19 -0.30 0.00 -1.51 -0.75 0.22 116.25 114.90 2bbu h VAL 9 Ca -0.07 -0.43 0.05 0.00 -1.23 0.00 0.00 66.70 65.02 2bbu h VAL 9 Cb 1.27 -0.17 -0.05 0.00 -2.13 0.00 0.00 31.29 30.22 2bbu h VAL 9 CO 0.11 0.23 0.01 0.03 -1.23 0.00 0.00 177.57 176.72 2bbu h ARG 10 N 1.25 0.10 -0.09 5.19 3.08 -1.28 2.71 114.38 125.34 2bbu h ARG 10 Ca 0.38 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 60.23 2bbu h ARG 10 Cb -0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2bbu h ARG 10 CO -0.11 0.07 -0.74 -0.22 -1.07 0.00 0.00 179.97 177.90 2bbu h LYS 11 N 0.11 0.48 -0.14 0.04 3.64 -1.43 -1.41 116.57 117.85 2bbu h LYS 11 Ca 0.14 -0.39 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2bbu h LYS 11 Cb 0.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2bbu h LYS 11 CO -0.23 1.03 -0.38 1.25 -2.27 0.00 0.00 179.45 178.85 2bbu h LEU 12 N 0.32 0.58 -0.91 5.20 5.85 0.13 -3.20 115.31 123.28 2bbu h LEU 12 Ca -0.04 -0.58 -0.10 0.00 0.84 0.00 0.00 57.88 57.99 2bbu h LEU 12 Cb 1.33 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2bbu h LEU 12 CO 0.13 1.06 -0.34 0.06 -0.34 0.00 0.00 178.44 179.02 2bbu h GLN 13 N 0.12 0.39 -0.16 1.25 3.07 0.47 -2.67 115.11 117.59 2bbu h GLN 13 Ca -0.01 -0.17 0.05 0.00 0.09 0.00 0.00 58.65 58.61 2bbu h GLN 13 Cb 0.99 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.53 2bbu h GLN 13 CO 0.08 0.68 0.15 0.93 0.09 0.00 0.00 178.83 180.77 2bbu h GLU 14 N 0.34 0.00 0.00 0.06 4.39 -1.24 0.91 114.58 119.03 2bbu h GLU 14 Ca 0.04 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 2bbu h GLU 14 Cb 0.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2bbu h GLU 14 CO 0.06 0.00 -0.41 0.77 -1.16 0.00 0.00 179.01 178.26 2bbu h SER 15 N 0.00 0.00 0.00 1.42 0.02 -1.51 -3.46 113.55 110.01 2bbu h SER 15 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2bbu h SER 15 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2bbu h SER 15 CO -0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 2bbu n GLY 16 N 0.21 0.59 0.07 -3.77 0.00 0.31 -4.84 105.19 97.76 2bbu n GLY 16 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2bbu n GLY 16 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2bbu n PHE 17 N -2.01 0.00 -3.33 1.61 -0.00 -1.26 -4.16 117.46 108.32 2bbu n PHE 17 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 2bbu n PHE 17 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 39.48 39.19 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2bbu s TYR 18 N -2.83 3.68 0.04 -5.13 6.14 -1.26 -4.11 117.35 113.87 2bbu s TYR 18 Ca 0.16 1.08 -0.01 0.00 0.64 0.00 0.00 57.07 58.94 2bbu s TYR 18 Cb 0.18 -2.48 -0.04 0.00 0.42 0.00 0.00 41.96 40.04 2bbu s TYR 18 CO 0.62 0.44 0.21 -1.58 0.64 0.00 0.00 175.55 175.88 2bbu s TRP 19 N -0.44 3.53 0.49 4.97 0.52 -0.51 -4.95 118.94 122.56 2bbu s TRP 19 Ca 0.27 0.31 0.26 0.00 0.02 0.00 0.00 56.10 56.96 2bbu s TRP 19 Cb -0.17 -1.80 1.39 0.00 -1.15 0.00 0.00 33.47 31.74 2bbu s TRP 19 CO 0.15 0.61 1.76 1.03 0.02 0.00 0.00 176.95 180.52 2bbu h SER 20 N 3.37 0.00 -3.46 2.95 0.87 -1.97 -3.31 113.55 111.99 2bbu h SER 20 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2bbu h SER 20 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2bbu h SER 20 CO 0.73 0.00 -0.28 0.00 -0.53 0.00 0.00 176.83 176.75 2bbu n ALA 21 N -1.81 -3.13 -1.00 6.23 0.00 -1.26 -4.33 120.51 115.21 2bbu n ALA 21 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2bbu n ALA 21 Cb 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.25 0.00 -3.31 0.00 0.24 -1.26 -4.79 118.33 109.46 2bbu n VAL 22 Ca -0.04 0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 62.37 2bbu n VAL 22 Cb 0.06 -0.99 0.01 0.00 -1.47 0.00 0.00 33.84 31.44 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 0.00 2.53 0.00 3.34 2.01 -1.26 -4.87 115.64 117.39 2bbu s THR 23 Ca 0.00 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2bbu s THR 23 Cb 0.00 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2bbu s THR 23 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2bbu n GLY 24 N -1.83 -0.26 0.15 4.40 0.00 -1.26 -1.59 105.19 104.80 2bbu n GLY 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.64 -0.02 0.00 -2.00 -3.10 103.07 99.59 2bbu h GLY 25 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2bbu h GLY 25 CO 0.00 0.00 0.15 -2.09 0.00 0.00 0.00 176.54 174.60 2bbu h GLU 26 N 0.00 0.00 0.01 4.80 4.57 -1.96 0.16 114.58 122.16 2bbu h GLU 26 Ca -0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2bbu h GLU 26 Cb 0.97 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.57 2bbu h GLU 26 CO 0.07 0.00 -0.33 0.00 -1.18 0.00 0.00 179.01 177.57 2bbu h ALA 27 N 1.82 0.03 -0.18 2.92 0.00 -1.21 -2.11 119.26 120.52 2bbu h ALA 27 Ca 0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2bbu h ALA 27 Cb 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bbu h ALA 27 CO -0.00 0.14 -0.23 -0.91 0.00 0.00 0.00 179.25 178.25 2bbu h ASN 28 N -0.47 0.52 0.40 0.00 2.35 -1.49 -3.28 115.58 113.61 2bbu h ASN 28 Ca -0.04 -0.50 -0.12 0.00 -0.55 0.00 0.00 56.30 55.08 2bbu h ASN 28 Cb 1.10 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 2bbu h ASN 28 CO 0.06 0.92 -0.53 -0.07 -1.65 0.00 0.00 177.43 176.16 2bbu h LEU 29 N 0.13 0.15 -2.04 1.61 3.38 -0.83 -3.16 115.31 114.55 2bbu h LEU 29 Ca 0.02 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.04 2bbu h LEU 29 Cb 0.79 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2bbu h LEU 29 CO 0.05 0.65 0.38 0.17 0.09 0.00 0.00 178.44 179.79 2bbu h LEU 30 N 0.11 0.00 -0.42 1.67 8.10 -1.43 0.45 115.31 123.79 2bbu h LEU 30 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.81 2bbu h LEU 30 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.18 2bbu h LEU 30 CO 0.08 0.00 -0.76 0.17 -4.11 0.00 0.00 178.44 173.82 2bbu h LEU 31 N 0.00 0.36 -0.84 0.17 8.10 -1.71 -2.38 115.31 119.01 2bbu h LEU 31 Ca 0.20 -0.25 -0.12 0.00 0.11 0.00 0.00 57.88 57.83 2bbu h LEU 31 Cb 0.96 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 41.06 2bbu h LEU 31 CO -0.00 0.99 -0.47 0.77 -4.11 0.00 0.00 178.44 175.62 2bbu h SER 32 N 0.19 0.28 1.83 0.17 4.64 -0.29 0.12 113.55 120.49 2bbu h SER 32 Ca -0.03 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 2bbu h SER 32 Cb 1.33 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2bbu h SER 32 CO 0.12 0.71 -0.17 0.00 -0.87 0.00 0.00 176.83 176.62 2bbu h ALA 33 N 1.30 0.90 -2.10 5.18 0.00 -1.19 -3.38 119.26 119.98 2bbu h ALA 33 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bbu h ALA 33 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bbu h ALA 33 CO 0.07 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.85 2bbu n GLU 34 N -3.10 0.00 -1.37 0.00 -0.58 -0.90 -4.81 120.64 109.87 2bbu n GLU 34 Ca 0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2bbu n GLU 34 Cb 0.58 -0.05 -0.05 0.00 -0.57 0.00 0.00 31.44 31.36 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 -1.55 1.81 -1.68 3.49 -0.04 0.41 -4.93 135.00 132.50 2bbu n PRO 35 Ca 0.00 -2.07 -0.44 0.00 -0.04 0.00 0.00 63.50 60.95 2bbu n PRO 35 Cb 0.00 -3.07 -0.02 0.00 -0.04 0.00 0.00 33.50 30.38 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 7.80 1.18 -0.90 0.55 0.00 -1.22 -0.81 120.51 127.12 2bbu n ALA 36 Ca 0.50 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.33 2bbu n ALA 36 Cb 0.41 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2bbu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bbu n GLY 37 N 1.54 0.92 3.61 0.00 0.00 -1.26 -5.02 105.19 104.98 2bbu n GLY 37 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.69 3.62 0.10 2.61 2.01 0.01 -3.89 115.64 116.41 2bbu s THR 38 Ca 0.00 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 61.09 2bbu s THR 38 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2bbu s THR 38 CO 0.00 0.24 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.57 2bbu s PHE 39 N -1.14 2.02 0.09 4.92 0.08 -1.22 -4.19 117.98 118.55 2bbu s PHE 39 Ca 0.20 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.76 2bbu s PHE 39 Cb -0.11 -1.13 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2bbu s PHE 39 CO 0.12 0.23 0.21 -0.48 -0.10 0.00 0.00 175.22 175.20 2bbu s LEU 40 N -1.80 1.32 0.08 -0.37 0.05 -1.25 -3.27 118.68 113.44 2bbu s LEU 40 Ca 0.10 -0.62 0.07 0.00 0.05 0.00 0.00 54.13 53.73 2bbu s LEU 40 Cb -0.10 1.12 -0.04 0.00 -2.05 0.00 0.00 46.19 45.12 2bbu s LEU 40 CO 0.04 -0.74 -0.13 -0.51 -0.55 0.00 0.00 176.35 174.46 2bbu s ILE 41 N -3.86 3.19 -0.08 1.48 2.07 -1.26 -3.55 121.20 119.19 2bbu s ILE 41 Ca 0.05 -1.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.07 2bbu s ILE 41 Cb 0.05 -2.44 0.01 0.00 0.13 0.00 0.00 42.46 40.21 2bbu s ILE 41 CO -0.11 0.19 -0.13 0.00 -1.91 0.00 0.00 174.94 172.98 2bbu s ARG 42 N -1.94 1.90 0.23 3.50 1.04 0.41 -1.43 118.95 122.66 2bbu s ARG 42 Ca 0.19 -0.46 -0.30 0.00 -1.04 0.00 0.00 55.73 54.12 2bbu s ARG 42 Cb -0.11 -1.61 -0.09 0.00 -2.04 0.00 0.00 34.95 31.11 2bbu s ARG 42 CO 0.11 -0.02 1.09 0.34 -0.04 0.00 0.00 175.30 176.77 2bbu s ASP 43 N 0.85 7.30 -0.77 -2.89 2.15 -1.25 -0.08 116.67 121.98 2bbu s ASP 43 Ca -0.10 2.17 -0.13 0.00 0.43 0.00 0.00 52.55 54.92 2bbu s ASP 43 Cb -0.15 -2.62 -0.10 0.00 -0.30 0.00 0.00 42.92 39.75 2bbu s ASP 43 CO 0.01 -0.15 1.94 -1.20 -0.17 0.00 0.00 175.17 175.60 2bbu n SER 44 N 1.71 3.48 0.01 -0.34 7.64 0.19 -4.63 113.62 121.69 2bbu n SER 44 Ca 0.00 -2.45 0.22 0.00 1.01 0.00 0.00 58.87 57.65 2bbu n SER 44 Cb 0.45 -1.04 0.62 0.00 -1.01 0.00 0.00 64.21 63.23 2bbu n SER 44 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2bbu h SER 45 N 7.19 0.00 0.00 6.43 4.64 -1.86 0.11 113.55 130.06 2bbu h SER 45 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2bbu h SER 45 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2bbu h SER 45 CO 1.65 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 176.94 2bbu n ASP 46 N -3.44 0.00 0.00 4.97 2.03 -1.26 -3.67 116.55 115.18 2bbu n ASP 46 Ca 0.12 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.57 2bbu n ASP 46 Cb 0.94 0.00 0.80 0.00 -0.72 0.00 0.00 41.12 42.14 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbu n GLN 47 N 0.00 0.73 -1.67 -0.67 6.02 -1.24 -4.86 117.38 115.70 2bbu n GLN 47 Ca 0.00 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 2bbu n GLN 47 Cb 0.00 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 2bbu n GLN 47 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2bbu n ARG 48 N -1.09 -0.87 0.00 -1.09 -4.01 0.39 -4.94 116.66 105.05 2bbu n ARG 48 Ca 0.19 0.79 0.00 0.00 -1.04 0.00 0.00 57.85 57.79 2bbu n ARG 48 Cb 0.14 -4.85 0.00 0.00 -3.04 0.00 0.00 32.46 24.71 2bbu n ARG 48 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 2bbu n HIS 49 N -3.16 0.00 -1.89 2.89 -0.00 -1.25 -4.85 115.22 106.95 2bbu n HIS 49 Ca -0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.05 2bbu n HIS 49 Cb 0.47 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.84 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 -2.07 0.00 -4.32 1.57 1.16 -1.26 -4.57 117.46 107.97 2bbu n PHE 50 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.30 2bbu n PHE 50 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 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 -1.67 2.54 0.21 2.97 -0.71 -1.26 0.56 117.98 120.62 2bbu s PHE 51 Ca 0.00 -0.26 0.11 0.00 -1.04 0.00 0.00 56.93 55.74 2bbu s PHE 51 Cb 0.00 -1.28 -0.04 0.00 -1.21 0.00 0.00 43.02 40.48 2bbu s PHE 51 CO 0.00 0.46 -0.18 0.99 -1.34 0.00 0.00 175.22 175.15 2bbu s THR 52 N -1.49 2.66 -0.05 -4.49 2.01 0.88 -3.73 115.64 111.43 2bbu s THR 52 Ca 0.22 -1.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.21 2bbu s THR 52 Cb -0.09 -2.31 0.04 0.00 0.01 0.00 0.00 72.50 70.14 2bbu s THR 52 CO 0.12 -0.18 0.10 -0.22 -0.69 0.00 0.00 174.62 173.76 2bbu s LEU 53 N -2.91 0.82 0.05 4.42 1.98 0.40 -0.45 118.68 122.99 2bbu s LEU 53 Ca 0.24 0.20 0.01 0.00 -2.89 0.00 0.00 54.13 51.69 2bbu s LEU 53 Cb -0.08 0.19 -0.03 0.00 0.66 0.00 0.00 46.19 46.94 2bbu s LEU 53 CO 0.13 -0.15 -0.05 -0.94 -1.89 0.00 0.00 176.35 173.45 2bbu s SER 54 N 1.18 0.60 0.39 3.68 1.04 -1.23 0.33 113.70 119.68 2bbu s SER 54 Ca -0.09 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.66 2bbu s SER 54 Cb -0.12 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2bbu s SER 54 CO -0.05 -0.38 0.07 0.68 0.98 0.00 0.00 173.24 174.55 2bbu s VAL 55 N -2.41 1.04 -0.14 5.02 -7.23 -0.90 -3.77 120.40 112.02 2bbu s VAL 55 Ca -0.04 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.12 2bbu s VAL 55 Cb -0.03 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2bbu s VAL 55 CO -0.04 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.90 2bbu s LYS 56 N -3.81 3.44 0.00 4.82 2.47 -1.26 -3.48 119.74 121.92 2bbu s LYS 56 Ca 0.28 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 54.04 2bbu s LYS 56 Cb 0.06 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 33.73 2bbu s LYS 56 CO 0.14 0.20 0.00 0.25 0.16 0.00 0.00 175.35 176.10 2bbu n THR 57 N 3.57 0.00 0.01 3.43 -2.24 -1.26 -4.33 114.28 113.46 2bbu n THR 57 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2bbu n THR 57 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2bbu n THR 57 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2bbu h GLN 58 N 0.00 -0.12 -1.27 -0.78 4.15 -1.99 -3.26 115.11 111.83 2bbu h GLN 58 Ca 0.00 0.01 0.37 0.00 0.77 0.00 0.00 58.65 59.80 2bbu h GLN 58 Cb 0.00 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 2bbu h GLN 58 CO 0.00 -0.00 1.17 0.77 -1.93 0.00 0.00 178.83 178.83 2bbu h SER 59 N -1.03 0.00 -4.47 -0.69 0.02 -1.94 -3.44 113.55 102.00 2bbu h SER 59 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2bbu h SER 59 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2bbu h SER 59 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2bbu n GLY 60 N -1.76 4.05 3.59 -3.77 0.00 -1.23 -4.93 105.19 101.15 2bbu n GLY 60 Ca 0.28 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bbu s THR 61 N -2.09 4.08 0.15 2.61 -1.32 -1.26 -4.36 115.64 113.45 2bbu s THR 61 Ca 0.00 1.07 0.07 0.00 -1.21 0.00 0.00 61.69 61.61 2bbu s THR 61 Cb 0.00 -4.55 -0.04 0.00 -1.51 0.00 0.00 72.50 66.40 2bbu s THR 61 CO 0.00 -1.05 -0.00 -0.75 -2.21 0.00 0.00 174.62 170.61 2bbu s LYS 62 N 4.72 2.43 -0.13 7.08 2.47 -1.23 -4.89 119.74 130.19 2bbu s LYS 62 Ca 0.50 -1.03 0.03 0.00 -1.56 0.00 0.00 55.97 53.90 2bbu s LYS 62 Cb -0.08 -2.40 0.01 0.00 -1.46 0.00 0.00 37.83 33.89 2bbu s LYS 62 CO 0.30 0.48 -0.21 0.54 0.16 0.00 0.00 175.35 176.62 2bbu s ASN 63 N -2.74 2.97 0.15 1.43 2.20 -1.26 -2.11 114.94 115.58 2bbu s ASN 63 Ca 0.27 -0.56 0.11 0.00 -0.94 0.00 0.00 52.86 51.73 2bbu s ASN 63 Cb -0.10 -1.37 -0.04 0.00 -2.00 0.00 0.00 41.25 37.74 2bbu s ASN 63 CO 0.18 0.08 -0.22 -0.76 -2.94 0.00 0.00 177.10 173.44 2bbu s LEU 64 N 0.78 2.51 0.03 3.54 1.02 0.98 -4.81 118.68 122.73 2bbu s LEU 64 Ca -0.09 -0.73 -0.01 0.00 0.02 0.00 0.00 54.13 53.32 2bbu s LEU 64 Cb -0.16 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 2bbu s LEU 64 CO -0.00 0.15 -0.02 0.00 0.02 0.00 0.00 176.35 176.50 2bbu s ARG 65 N -2.37 0.41 -0.24 1.70 1.70 -1.26 0.15 118.95 119.04 2bbu s ARG 65 Ca 0.18 -0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 54.37 2bbu s ARG 65 Cb -0.09 0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.43 2bbu s ARG 65 CO 0.09 -0.07 1.23 -1.50 -1.08 0.00 0.00 175.30 173.96 2bbu s ILE 66 N -2.19 4.31 0.23 4.99 -1.16 -1.24 -4.48 121.20 121.66 2bbu s ILE 66 Ca -0.09 1.54 -0.08 0.00 -0.51 0.00 0.00 60.65 61.52 2bbu s ILE 66 Cb -0.05 -4.14 -0.06 0.00 0.61 0.00 0.00 42.46 38.82 2bbu s ILE 66 CO -0.04 -0.30 0.52 -1.58 -2.81 0.00 0.00 174.94 170.74 2bbu s GLN 67 N 3.71 3.73 -0.21 3.50 0.74 0.90 -4.70 119.66 127.33 2bbu s GLN 67 Ca 0.53 0.15 -0.09 0.00 0.05 0.00 0.00 55.36 56.00 2bbu s GLN 67 Cb -0.18 -2.68 -0.05 0.00 1.10 0.00 0.00 33.01 31.21 2bbu s GLN 67 CO 0.16 0.32 0.11 0.00 -0.55 0.00 0.00 175.29 175.33 2bbu s GLU 69 N 0.65 0.92 -1.51 0.00 2.56 0.74 -4.78 118.70 117.29 2bbu s GLU 69 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.97 54.82 2bbu s GLU 69 Cb -0.12 -1.51 0.00 0.00 2.00 0.00 0.00 34.13 34.50 2bbu s GLU 69 CO 0.01 -0.39 0.46 0.41 -0.56 0.00 0.00 175.26 175.19 2bbu n GLY 70 N 5.04 -0.45 2.36 -1.50 0.00 -1.26 -0.82 105.19 108.57 2bbu n GLY 70 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.39 2.53 3.96 -0.02 0.00 -1.26 -5.01 105.19 103.99 2bbu n GLY 71 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2bbu n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bbu s SER 72 N -2.37 6.04 0.13 1.61 1.04 0.00 -4.81 113.70 115.34 2bbu s SER 72 Ca 0.00 0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.76 2bbu s SER 72 Cb 0.00 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 2bbu s SER 72 CO 0.00 -0.49 -0.03 -0.36 0.98 0.00 0.00 173.24 173.34 2bbu s PHE 73 N -2.39 2.85 -0.21 5.02 0.40 -1.26 0.26 117.98 122.66 2bbu s PHE 73 Ca 0.44 -0.11 -0.19 0.00 -0.60 0.00 0.00 56.93 56.47 2bbu s PHE 73 Cb -0.10 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 42.05 2bbu s PHE 73 CO 0.36 0.48 0.56 -1.12 0.70 0.00 0.00 175.22 176.20 2bbu s SER 74 N -2.56 -0.60 0.00 1.36 0.01 0.75 -4.53 113.70 108.13 2bbu s SER 74 Ca 0.25 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2bbu s SER 74 Cb -0.10 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.26 2bbu s SER 74 CO 0.17 -0.20 0.33 -0.11 0.41 0.00 0.00 173.24 173.84 2bbu n LEU 75 N 2.97 0.66 0.00 2.44 0.00 -1.26 0.30 117.00 122.12 2bbu n LEU 75 Ca -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 56.01 55.13 2bbu n LEU 75 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 2bbu n LEU 75 CO 0.07 0.17 0.00 0.00 0.00 0.00 0.00 177.39 177.63 2bbu n GLN 76 N -0.15 0.78 -1.45 1.96 6.02 -1.26 -4.81 117.38 118.47 2bbu n GLN 76 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.52 2bbu n GLN 76 Cb 0.04 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.27 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2bbu n SER 77 N 0.00 -0.58 -4.71 1.08 2.88 -1.26 -4.85 113.62 106.18 2bbu n SER 77 Ca 0.00 1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 58.27 2bbu n SER 77 Cb 0.00 -1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 62.39 2bbu n SER 77 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2bbu s ASP 78 N -0.87 7.28 -0.48 -3.46 1.47 -1.26 -4.91 116.67 114.44 2bbu s ASP 78 Ca 0.63 1.55 -0.05 0.00 1.18 0.00 0.00 52.55 55.86 2bbu s ASP 78 Cb -0.88 -2.53 -0.13 0.00 -0.34 0.00 0.00 42.92 39.04 2bbu s ASP 78 CO 0.57 -0.22 2.46 -0.81 0.68 0.00 0.00 175.17 177.85 2bbu n PRO 79 N 3.84 1.83 -0.21 2.11 -0.04 -1.26 -4.47 135.00 136.80 2bbu n PRO 79 Ca 0.04 -1.09 0.03 0.00 -0.04 0.00 0.00 63.50 62.44 2bbu n PRO 79 Cb 0.51 -2.14 0.11 0.00 -0.04 0.00 0.00 33.50 31.94 2bbu n PRO 79 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2bbu n ARG 80 N 3.28 1.91 -1.86 0.54 0.63 -1.26 -4.08 116.66 115.81 2bbu n ARG 80 Ca 0.39 -0.88 -0.32 0.00 -0.92 0.00 0.00 57.85 56.12 2bbu n ARG 80 Cb 0.41 -1.51 0.04 0.00 0.45 0.00 0.00 32.46 31.85 2bbu n ARG 80 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2bbu n SER 81 N 0.17 6.40 -4.36 6.15 3.41 -1.26 -4.89 113.62 119.23 2bbu n SER 81 Ca 0.08 -3.78 -0.39 0.00 -0.26 0.00 0.00 58.87 54.52 2bbu n SER 81 Cb 0.40 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 2bbu n SER 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2bbu n THR 82 N -0.69 -0.57 -3.28 6.66 -1.04 -1.26 -4.85 114.28 109.25 2bbu n THR 82 Ca 0.52 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 62.27 2bbu n THR 82 Cb 0.64 -1.16 -0.08 0.00 -1.82 0.00 0.00 70.33 67.91 2bbu n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bbu n GLN 83 N -4.24 1.18 -1.24 -2.82 10.64 -1.26 -5.11 117.38 114.53 2bbu n GLN 83 Ca 0.10 -3.63 -0.28 0.00 -1.83 0.00 0.00 57.00 51.36 2bbu n GLN 83 Cb 0.47 -1.55 0.22 0.00 -0.86 0.00 0.00 30.24 28.52 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2bbu n PRO 84 N 1.37 -2.41 -4.73 2.61 -0.04 -1.26 -4.89 135.00 125.65 2bbu n PRO 84 Ca 0.24 -1.73 -0.24 0.00 -0.04 0.00 0.00 63.50 61.73 2bbu n PRO 84 Cb 0.49 -1.45 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 2bbu n PRO 84 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bbu s VAL 85 N -3.14 1.39 0.24 0.52 -7.23 -1.26 -5.09 120.40 105.82 2bbu s VAL 85 Ca 0.68 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 2bbu s VAL 85 Cb -0.05 -1.18 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 2bbu s VAL 85 CO 0.50 0.30 1.16 -2.16 -0.31 0.00 0.00 175.10 174.60 2bbu s PRO 86 N -0.64 4.55 -1.47 4.82 0.04 -1.26 -3.17 135.00 137.87 2bbu s PRO 86 Ca 0.06 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 2bbu s PRO 86 Cb -0.07 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2bbu s PRO 86 CO 0.00 0.04 0.81 0.54 0.04 0.00 0.00 177.00 178.42 2bbu n ARG 87 N 1.77 -5.65 -1.70 4.56 1.74 -1.26 -4.21 116.66 111.91 2bbu n ARG 87 Ca 0.02 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 2bbu n ARG 87 Cb 0.44 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2bbu n PHE 88 N -4.60 0.00 -3.87 -1.55 -1.74 -1.19 -4.90 117.46 99.60 2bbu n PHE 88 Ca -0.04 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.49 2bbu n PHE 88 Cb 0.58 -0.81 -0.13 0.00 1.52 0.00 0.00 39.48 40.64 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2bbu s ASP 89 N 0.00 4.98 0.00 5.98 1.01 -1.26 -4.79 116.67 122.59 2bbu s ASP 89 Ca 0.00 -1.23 0.00 0.00 0.71 0.00 0.00 52.55 52.03 2bbu s ASP 89 Cb 0.00 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.18 2bbu s ASP 89 CO 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 175.17 175.11 2bbu h VAL 91 N 0.00 0.51 -0.72 0.00 3.04 -1.88 2.69 116.25 119.88 2bbu h VAL 91 Ca 0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 2bbu h VAL 91 Cb 0.00 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 29.66 2bbu h VAL 91 CO 0.00 0.02 0.39 -0.07 -1.01 0.00 0.00 177.57 176.90 2bbu h LEU 92 N 0.09 0.90 -1.30 3.16 3.38 -1.93 -0.90 115.31 118.71 2bbu h LEU 92 Ca 0.29 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2bbu h LEU 92 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2bbu h LEU 92 CO -0.51 0.74 -0.35 0.50 0.09 0.00 0.00 178.44 178.91 2bbu h LYS 93 N 0.99 0.00 -0.56 1.13 3.64 -0.75 -2.76 116.57 118.25 2bbu h LYS 93 Ca 0.25 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2bbu h LYS 93 Cb 0.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2bbu h LYS 93 CO -0.04 0.35 0.38 -0.07 -2.27 0.00 0.00 179.45 177.79 2bbu h LEU 94 N 0.00 0.47 -1.24 5.20 -0.00 0.59 -1.00 115.31 119.34 2bbu h LEU 94 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.01 2bbu h LEU 94 Cb 0.63 -0.10 -0.07 0.00 -0.00 0.00 0.00 40.66 41.12 2bbu h LEU 94 CO 0.05 0.31 0.58 -0.37 -0.00 0.00 0.00 178.44 179.01 2bbu h VAL 95 N 0.54 0.86 -0.36 1.22 -1.51 -1.37 1.50 116.25 117.13 2bbu h VAL 95 Ca 0.24 -0.26 -0.12 0.00 -1.23 0.00 0.00 66.70 65.33 2bbu h VAL 95 Cb 0.27 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.46 2bbu h VAL 95 CO -0.07 0.14 -0.26 0.45 -1.23 0.00 0.00 177.57 176.60 2bbu h HIS 96 N 0.75 0.85 0.07 5.19 3.86 -1.31 0.25 115.15 124.82 2bbu h HIS 96 Ca 0.45 -0.21 -0.26 0.00 -1.16 0.00 0.00 60.37 59.19 2bbu h HIS 96 Cb 0.65 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.93 2bbu h HIS 96 CO -0.00 0.93 -1.12 1.25 0.86 0.00 0.00 177.93 179.85 2bbu h HIS 97 N 0.64 0.71 0.00 2.45 6.17 -0.53 -3.23 115.15 121.37 2bbu h HIS 97 Ca 0.08 -0.44 -0.04 0.00 0.71 0.00 0.00 60.37 60.68 2bbu h HIS 97 Cb 0.78 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 2bbu h HIS 97 CO 0.04 1.29 -0.20 1.88 0.71 0.00 0.00 177.93 181.65 2bbu h TYR 98 N 0.20 0.00 -3.24 5.26 0.05 0.20 -3.37 116.97 116.08 2bbu h TYR 98 Ca -0.13 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.66 2bbu h TYR 98 Cb 1.79 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 39.45 2bbu h TYR 98 CO 0.08 0.20 0.09 -1.64 -1.05 0.00 0.00 178.16 175.84 2bbu s MET 99 N -3.28 1.59 0.13 4.88 -1.94 0.86 -4.80 119.30 116.75 2bbu s MET 99 Ca 0.04 -0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 52.73 2bbu s MET 99 Cb 0.07 0.55 -0.07 0.00 2.01 0.00 0.00 34.83 37.40 2bbu s MET 99 CO 0.67 -0.70 1.10 -1.25 -0.01 0.00 0.00 175.02 174.83 2bbu s PRO 100 N -3.92 4.57 -0.34 2.03 0.04 -1.22 -3.97 135.00 132.18 2bbu s PRO 100 Ca 0.13 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 2bbu s PRO 100 Cb -0.03 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.19 2bbu s PRO 100 CO 0.04 0.01 1.49 -1.25 0.04 0.00 0.00 177.00 177.32 2bbu s PRO 101 N 0.09 3.64 -0.54 0.56 0.04 -1.26 -4.88 135.00 132.64 2bbu s PRO 101 Ca 0.51 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 2bbu s PRO 101 Cb -0.28 -4.03 -0.11 0.00 0.04 0.00 0.00 34.50 30.12 2bbu s PRO 101 CO 0.33 -1.49 2.39 -0.35 0.04 0.00 0.00 177.00 177.92 2bbu n PRO 102 N 7.92 1.85 -1.36 0.56 -0.04 -1.26 -4.71 135.00 137.96 2bbu n PRO 102 Ca 0.18 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2bbu n PRO 102 Cb 0.47 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.22 -4.44 2.48 0.55 0.00 -1.26 -5.01 105.19 100.72 2bbu n GLY 103 Ca 0.40 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 104 N -0.26 0.11 0.78 2.61 2.01 -1.26 -5.13 115.64 114.50 2bbu s THR 104 Ca 0.00 -1.74 -0.13 0.00 0.31 0.00 0.00 61.69 60.13 2bbu s THR 104 Cb 0.00 -1.08 0.19 0.00 0.01 0.00 0.00 72.50 71.62 2bbu s THR 104 CO 0.00 -0.98 0.80 -0.81 -0.69 0.00 0.00 174.62 172.94 2bbu n PRO 105 N 3.93 -1.94 -0.82 4.92 -0.04 -1.26 -5.05 135.00 134.74 2bbu n PRO 105 Ca 0.14 -1.27 -0.19 0.00 -0.04 0.00 0.00 63.50 62.14 2bbu n PRO 105 Cb 0.39 -1.06 0.15 0.00 -0.04 0.00 0.00 33.50 32.94 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 -4.05 -1.20 -4.53 3.54 2.88 -1.26 -4.89 113.62 104.11 2bbu n SER 106 Ca 0.11 -1.03 -0.43 0.00 -1.33 0.00 0.00 58.87 56.18 2bbu n SER 106 Cb 0.40 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 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 -2.44 3.00 0.00 0.66 5.36 -1.26 -4.94 117.98 118.37 2bbu s PHE 107 Ca 0.46 -1.68 0.00 0.00 -0.96 0.00 0.00 56.93 54.75 2bbu s PHE 107 Cb -0.04 -4.58 0.00 0.00 -0.34 0.00 0.00 43.02 38.07 2bbu s PHE 107 CO 0.34 -1.67 0.00 0.45 -1.46 0.00 0.00 175.22 172.88 2bbu n SER 108 N 7.45 -1.19 -3.76 6.13 2.88 -1.26 -4.88 113.62 118.99 2bbu n SER 108 Ca 0.41 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.85 2bbu n SER 108 Cb 0.46 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.85 2bbu n SER 108 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2bbu s LEU 109 N 0.00 0.96 0.47 2.46 2.34 -1.26 -5.15 118.68 118.50 2bbu s LEU 109 Ca 0.00 -0.42 -0.21 0.00 0.06 0.00 0.00 54.13 53.56 2bbu s LEU 109 Cb 0.00 1.37 -0.08 0.00 -0.56 0.00 0.00 46.19 46.92 2bbu s LEU 109 CO 0.00 -0.74 1.08 -2.16 -1.06 0.00 0.00 176.35 173.48 2bbu s PRO 110 N -3.48 3.79 0.00 1.48 0.04 -1.26 -5.03 135.00 130.54 2bbu s PRO 110 Ca 0.02 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2bbu s PRO 110 Cb 0.02 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2bbu s PRO 110 CO -0.09 -0.47 0.00 -0.35 0.04 0.00 0.00 177.00 176.13 2bbu n PRO 111 N -0.74 0.00 -1.26 0.56 -0.04 -1.26 -4.27 135.00 127.98 2bbu n PRO 111 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 2bbu n PRO 111 Cb 0.51 -0.17 -0.03 0.00 -0.04 0.00 0.00 33.50 33.76 2bbu n PRO 111 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bbu n THR 112 N 0.00 2.64 -2.88 0.52 -2.24 -1.26 -4.54 114.28 106.53 2bbu n THR 112 Ca 0.00 -2.08 -0.10 0.00 -2.27 0.00 0.00 64.05 59.61 2bbu n THR 112 Cb 0.00 -2.40 -0.00 0.00 -2.10 0.00 0.00 70.33 65.83 2bbu n THR 112 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2bbu n GLU 113 N 5.93 0.55 0.04 -0.78 0.00 -1.26 -5.01 120.64 120.11 2bbu n GLU 113 Ca 0.52 -2.21 -0.11 0.00 0.00 0.00 0.00 57.16 55.36 2bbu n GLU 113 Cb 0.34 -1.48 -0.08 0.00 0.00 0.00 0.00 31.44 30.21 2bbu n GLU 113 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2bbu h PRO 114 N 4.80 -0.17 -0.99 5.31 0.13 -1.90 -3.46 132.00 135.73 2bbu h PRO 114 Ca 0.04 0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.83 2bbu h PRO 114 Cb 1.05 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.09 2bbu h PRO 114 CO 0.16 0.30 -0.34 0.45 -0.23 0.00 0.00 178.00 178.35 2bbu n SER 115 N -4.90 -5.11 -1.66 1.44 2.88 -1.26 -1.86 113.62 103.14 2bbu n SER 115 Ca -0.08 0.39 -0.19 0.00 -1.33 0.00 0.00 58.87 57.66 2bbu n SER 115 Cb 0.27 -4.16 -0.07 0.00 -0.75 0.00 0.00 64.21 59.50 2bbu n SER 115 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bbu n SER 116 N -0.88 -5.03 -3.07 -3.46 2.88 -1.26 -3.87 113.62 98.93 2bbu n SER 116 Ca -0.18 0.41 -0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2bbu n SER 116 Cb 0.58 -4.45 -0.00 0.00 -0.75 0.00 0.00 64.21 59.59 2bbu n SER 116 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bbu n GLU 117 N -2.35 -1.21 -3.10 -1.46 1.02 -0.78 -4.92 120.64 107.86 2bbu n GLU 117 Ca -0.19 1.30 -0.24 0.00 -0.02 0.00 0.00 57.16 58.01 2bbu n GLU 117 Cb 0.63 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bbu n VAL 118 N 1.67 1.72 0.04 2.62 0.31 -1.25 -4.86 118.33 118.58 2bbu n VAL 118 Ca -0.03 -5.12 -0.09 0.00 -0.01 0.00 0.00 64.34 59.09 2bbu n VAL 118 Cb 0.30 -1.20 0.05 0.00 -0.91 0.00 0.00 33.84 32.08 2bbu n VAL 118 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2bbu h PRO 119 N 3.22 0.42 -5.63 5.55 0.13 -1.95 -3.49 132.00 130.25 2bbu h PRO 119 Ca 0.13 -0.31 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 2bbu h PRO 119 Cb 0.69 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2bbu h PRO 119 CO 0.70 0.94 -0.94 -1.91 -0.23 0.00 0.00 178.00 176.56 2bbu n GLU 120 N -3.87 -2.30 -2.69 0.86 4.07 -1.26 -4.98 120.64 110.47 2bbu n GLU 120 Ca -0.04 2.01 -0.07 0.00 -0.06 0.00 0.00 57.16 59.00 2bbu n GLU 120 Cb 0.67 -3.94 0.08 0.00 -0.06 0.00 0.00 31.44 28.19 2bbu n GLU 120 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2bbu n GLN 121 N 0.61 1.20 -2.40 5.31 7.27 -1.26 -5.11 117.38 122.99 2bbu n GLN 121 Ca 0.01 -2.51 -0.41 0.00 0.07 0.00 0.00 57.00 54.16 2bbu n GLN 121 Cb 0.28 -0.63 -0.03 0.00 2.41 0.00 0.00 30.24 32.27 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2bbu s PRO 122 N -1.47 4.50 -0.68 3.69 0.04 -1.26 -4.90 135.00 134.92 2bbu s PRO 122 Ca 0.24 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 2bbu s PRO 122 Cb 0.43 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.59 2bbu s PRO 122 CO -0.03 -0.09 2.47 -0.35 0.04 0.00 0.00 177.00 179.04 2bbu n PRO 123 N 2.71 2.09 -0.27 0.56 -0.04 -1.26 -4.50 135.00 134.29 2bbu n PRO 123 Ca 0.05 -1.29 0.03 0.00 -0.04 0.00 0.00 63.50 62.25 2bbu n PRO 123 Cb 0.45 -2.27 0.13 0.00 -0.04 0.00 0.00 33.50 31.77 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 124 N 3.49 2.88 -2.71 0.55 0.00 -1.26 -4.84 120.51 118.62 2bbu n ALA 124 Ca 0.45 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2bbu n ALA 124 Cb 0.34 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 2bbu n ALA 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bbu s GLN 125 N -1.60 0.63 0.03 0.00 0.74 -1.26 -5.10 119.66 113.11 2bbu s GLN 125 Ca 0.18 -0.90 -0.38 0.00 0.05 0.00 0.00 55.36 54.31 2bbu s GLN 125 Cb 0.13 -0.36 -0.18 0.00 1.10 0.00 0.00 33.01 33.70 2bbu s GLN 125 CO 0.06 0.06 1.31 0.00 -0.55 0.00 0.00 175.29 176.17 2bbu n ALA 126 N 1.15 -1.58 0.34 1.58 0.00 -1.26 -4.86 120.51 115.87 2bbu n ALA 126 Ca -0.21 0.53 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 2bbu n ALA 126 Cb 0.56 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2bbu h LEU 127 N 4.35 -0.73 -9.15 0.00 -0.00 -1.99 -3.41 115.31 104.38 2bbu h LEU 127 Ca -0.48 -0.02 -0.56 0.00 -0.00 0.00 0.00 57.88 56.82 2bbu h LEU 127 Cb 1.36 0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 42.17 2bbu h LEU 127 CO 0.76 -0.42 0.96 -2.16 -0.00 0.00 0.00 178.44 177.59 2bbu s PRO 128 N -5.31 4.17 0.00 1.13 0.04 -1.26 -4.47 135.00 129.30 2bbu s PRO 128 Ca -0.16 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2bbu s PRO 128 Cb 0.02 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2bbu s PRO 128 CO 0.54 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2bbu n GLY 129 N 3.85 -1.19 3.53 0.56 0.00 -1.26 -5.04 105.19 105.64 2bbu n GLY 129 Ca 0.15 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 2bbu n GLY 129 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bbu n SER 130 N 0.00 1.12 -2.51 1.61 2.88 -1.26 -4.63 113.62 110.83 2bbu n SER 130 Ca 0.00 -1.92 -0.19 0.00 -1.33 0.00 0.00 58.87 55.43 2bbu n SER 130 Cb 0.00 -1.56 0.01 0.00 -0.75 0.00 0.00 64.21 61.91 2bbu n SER 130 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bbu n THR 131 N 8.48 1.89 1.33 2.46 -1.04 -1.26 -4.81 114.28 121.32 2bbu n THR 131 Ca 0.42 -4.14 0.11 0.00 -2.04 0.00 0.00 64.05 58.39 2bbu n THR 131 Cb 0.44 -0.48 0.63 0.00 -1.82 0.00 0.00 70.33 69.10 2bbu n THR 131 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2bbu n PRO 132 N -0.38 0.66 -1.99 -2.82 -0.04 -1.26 -3.04 135.00 126.12 2bbu n PRO 132 Ca 0.28 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2bbu n PRO 132 Cb 0.75 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 2bbu n PRO 132 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2bbu n LYS 133 N -1.01 1.53 -2.70 0.54 0.00 -1.26 -4.86 118.16 110.40 2bbu n LYS 133 Ca 0.16 -3.15 -0.07 0.00 -0.00 0.00 0.00 58.31 55.25 2bbu n LYS 133 Cb 0.08 -1.25 0.10 0.00 -0.00 0.00 0.00 35.03 33.96 2bbu n LYS 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2bbu n ARG 134 N -0.36 0.99 -3.15 -1.58 0.63 -1.17 -4.68 116.66 107.34 2bbu n ARG 134 Ca 0.15 -1.65 0.06 0.00 -0.92 0.00 0.00 57.85 55.49 2bbu n ARG 134 Cb 0.92 -0.22 -0.00 0.00 0.45 0.00 0.00 32.46 33.60 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bbu s ALA 135 N 0.18 -4.08 -0.25 5.13 0.00 -1.26 -5.03 121.76 116.45 2bbu s ALA 135 Ca 0.19 1.38 -0.09 0.00 0.00 0.00 0.00 51.96 53.44 2bbu s ALA 135 Cb 0.33 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2bbu s ALA 135 CO -0.08 -1.97 0.12 -0.47 0.00 0.00 0.00 175.76 173.37 2bbu s TYR 136 N 2.97 3.20 0.24 0.00 5.04 -0.84 -4.90 117.35 123.05 2bbu s TYR 136 Ca 0.21 -0.05 -0.17 0.00 -2.44 0.00 0.00 57.07 54.62 2bbu s TYR 136 Cb -0.03 -2.26 0.02 0.00 0.35 0.00 0.00 41.96 40.03 2bbu s TYR 136 CO -0.19 -0.13 0.57 1.52 -1.34 0.00 0.00 175.55 175.97 2bbu s TYR 137 N 1.36 0.01 0.12 4.97 -0.85 -1.25 -2.50 117.35 119.21 2bbu s TYR 137 Ca 0.06 -0.39 0.10 0.00 -0.52 0.00 0.00 57.07 56.32 2bbu s TYR 137 Cb -0.15 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 2bbu s TYR 137 CO 0.06 -1.04 -0.26 0.42 -1.52 0.00 0.00 175.55 173.22 2bbu s ILE 138 N -3.93 2.13 -0.51 -3.49 1.09 -1.17 -4.91 121.20 110.41 2bbu s ILE 138 Ca 0.14 -1.69 -0.25 0.00 -1.10 0.00 0.00 60.65 57.75 2bbu s ILE 138 Cb -0.02 -1.89 0.03 0.00 -1.06 0.00 0.00 42.46 39.52 2bbu s ILE 138 CO 0.04 0.08 0.97 -0.31 -0.10 0.00 0.00 174.94 175.62 2bbu s TYR 139 N -1.06 2.83 -0.23 3.97 2.02 -1.26 -2.13 117.35 121.49 2bbu s TYR 139 Ca 0.12 0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.89 2bbu s TYR 139 Cb -0.10 -4.10 -0.03 0.00 -0.40 0.00 0.00 41.96 37.33 2bbu s TYR 139 CO 0.05 -1.26 0.53 0.45 -1.57 0.00 0.00 175.55 173.74 2bbu s SER 140 N 2.58 6.51 -0.94 2.29 0.15 0.89 -4.41 113.70 120.77 2bbu s SER 140 Ca 0.36 0.61 -0.10 0.00 0.70 0.00 0.00 55.95 57.52 2bbu s SER 140 Cb -0.11 -2.29 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2bbu s SER 140 CO 0.24 -0.24 0.71 0.61 1.20 0.00 0.00 173.24 175.75 2bbu n GLY 141 N 4.13 -1.15 1.95 9.45 0.00 -1.26 0.45 105.19 118.75 2bbu n GLY 141 Ca -0.04 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.71 1.04 3.13 -0.02 0.00 -1.26 -4.90 105.19 101.47 2bbu n GLY 142 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.13 2.94 -0.58 1.61 2.12 0.17 -5.08 118.70 116.76 2bbu s GLU 143 Ca 0.00 -0.82 -0.26 0.00 0.36 0.00 0.00 54.97 54.25 2bbu s GLU 143 Cb 0.00 -2.48 0.04 0.00 0.26 0.00 0.00 34.13 31.95 2bbu s GLU 143 CO 0.00 -0.14 1.08 -1.59 -0.54 0.00 0.00 175.26 174.07 2bbu s LYS 144 N 1.13 3.40 -0.42 4.30 -2.85 -1.26 0.30 119.74 124.34 2bbu s LYS 144 Ca 0.01 -0.05 -0.15 0.00 -1.00 0.00 0.00 55.97 54.77 2bbu s LYS 144 Cb -0.14 -4.05 0.03 0.00 -2.06 0.00 0.00 37.83 31.61 2bbu s LYS 144 CO -0.09 -1.63 0.32 0.42 0.10 0.00 0.00 175.35 174.47 2bbu s ILE 145 N 4.52 5.25 0.05 3.79 1.09 -0.90 -4.94 121.20 130.07 2bbu s ILE 145 Ca 0.36 -0.74 -0.31 0.00 -1.10 0.00 0.00 60.65 58.87 2bbu s ILE 145 Cb -0.10 -3.97 -0.06 0.00 -1.06 0.00 0.00 42.46 37.27 2bbu s ILE 145 CO 0.21 -0.36 1.28 -2.16 -0.10 0.00 0.00 174.94 173.81 2bbu s PRO 146 N 1.68 4.37 -0.04 2.79 0.04 -1.26 -3.06 135.00 139.51 2bbu s PRO 146 Ca 0.05 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2bbu s PRO 146 Cb -0.20 -3.38 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 2bbu s PRO 146 CO 0.09 -0.37 -0.17 -0.51 0.04 0.00 0.00 177.00 176.08 2bbu s LEU 147 N 1.41 1.92 -0.29 -3.56 1.43 -1.04 -4.96 118.68 113.59 2bbu s LEU 147 Ca 0.61 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2bbu s LEU 147 Cb -0.31 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2bbu s LEU 147 CO 0.28 0.15 0.14 0.68 0.23 0.00 0.00 176.35 177.83 2bbu s VAL 148 N 0.04 4.68 -0.10 -1.59 -7.23 -1.26 -1.99 120.40 112.96 2bbu s VAL 148 Ca -0.04 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 2bbu s VAL 148 Cb -0.12 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 2bbu s VAL 148 CO 0.02 0.18 1.19 -0.76 -0.31 0.00 0.00 175.10 175.42 2bbu s LEU 149 N 1.65 4.24 0.00 1.32 1.43 -1.26 -4.84 118.68 121.22 2bbu s LEU 149 Ca 0.06 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2bbu s LEU 149 Cb -0.16 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2bbu s LEU 149 CO 0.07 -0.62 0.01 -0.24 0.23 0.00 0.00 176.35 175.80 2bbu n SER 150 N 5.63 0.03 -4.65 2.29 2.88 -1.26 -3.39 113.62 115.14 2bbu n SER 150 Ca 0.12 -0.28 -0.37 0.00 -1.33 0.00 0.00 58.87 57.01 2bbu n SER 150 Cb 0.46 0.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.08 4.05 0.44 -1.46 3.52 -1.25 -4.92 118.95 119.24 2bbu s ARG 151 Ca 0.00 -0.28 -0.22 0.00 -0.13 0.00 0.00 55.73 55.10 2bbu s ARG 151 Cb 0.00 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 2bbu s ARG 151 CO 0.00 0.04 1.03 -1.25 -0.81 0.00 0.00 175.30 174.31 2bbu s PRO 152 N 1.11 4.03 0.79 5.12 0.04 -1.26 -3.39 135.00 141.44 2bbu s PRO 152 Ca 0.07 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2bbu s PRO 152 Cb -0.14 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.14 2bbu s PRO 152 CO 0.05 -0.24 1.11 -0.48 0.04 0.00 0.00 177.00 177.48 2bbu s LEU 153 N -3.02 3.04 0.00 -3.56 -0.00 -1.20 -4.67 118.68 109.27 2bbu s LEU 153 Ca 0.62 1.96 0.00 0.00 -0.00 0.00 0.00 54.13 56.71 2bbu s LEU 153 Cb -0.18 -4.54 0.00 0.00 -0.00 0.00 0.00 46.19 41.47 2bbu s LEU 153 CO 0.23 -2.27 0.00 -1.20 -0.00 0.00 0.00 176.35 173.11 2bbu n SER 154 N -3.53 0.00 -4.43 1.48 7.64 -1.26 -4.18 113.62 109.33 2bbu n SER 154 Ca 0.10 0.00 -0.49 0.00 1.01 0.00 0.00 58.87 59.50 2bbu n SER 154 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2bbu n SER 154 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2bbu n SER 155 N -0.12 -0.87 0.00 6.43 7.64 -1.26 -5.08 113.62 120.36 2bbu n SER 155 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2bbu n SER 155 Cb 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2bbu n SER 155 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57