#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bla s ASN 3 N 0.00 5.48 0.27 4.31 2.47 -1.26 -4.96 114.94 121.25 2bla s ASN 3 Ca 0.00 -1.79 0.04 0.00 0.42 0.00 0.00 52.86 51.53 2bla s ASN 3 Cb 0.00 -1.92 0.38 0.00 -1.45 0.00 0.00 41.25 38.26 2bla s ASN 3 CO 0.00 -0.57 1.67 -0.07 -3.72 0.00 0.00 177.10 174.41 2bla h LEU 4 N 8.27 0.37 -1.43 3.21 3.38 -1.97 0.25 115.31 127.40 2bla h LEU 4 Ca -0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2bla h LEU 4 Cb 1.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2bla h LEU 4 CO 0.75 0.73 -0.28 0.77 0.09 0.00 0.00 178.44 180.51 2bla h SER 5 N 0.30 0.00 0.10 -0.43 4.64 -1.79 0.69 113.55 117.06 2bla h SER 5 Ca 0.03 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.11 2bla h SER 5 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2bla h SER 5 CO 0.07 0.28 -1.19 -0.78 -0.87 0.00 0.00 176.83 174.33 2bla h ASP 6 N 0.00 0.33 -0.77 4.97 3.58 -1.81 -0.70 116.42 122.02 2bla h ASP 6 Ca -0.00 -0.85 -0.02 0.00 0.42 0.00 0.00 57.03 56.58 2bla h ASP 6 Cb 0.57 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 2bla h ASP 6 CO 0.04 1.52 0.42 0.58 -2.88 0.00 0.00 179.24 178.92 2bla h VAL 7 N -0.43 1.23 -0.39 2.25 2.07 -0.81 -3.03 116.25 117.16 2bla h VAL 7 Ca -0.26 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2bla h VAL 7 Cb 1.64 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2bla h VAL 7 CO 0.05 0.26 0.00 0.49 0.02 0.00 0.00 177.57 178.39 2bla n PHE 8 N -4.34 0.74 -3.79 1.57 3.72 0.22 -4.59 117.46 110.99 2bla n PHE 8 Ca 0.08 -0.61 -0.32 0.00 -0.05 0.00 0.00 57.45 56.55 2bla n PHE 8 Cb 0.11 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2bla n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bla n ASP 9 N 0.41 -5.03 -4.48 4.37 8.00 -0.70 -4.29 116.55 114.83 2bla n ASP 9 Ca 0.17 -1.02 -0.43 0.00 0.71 0.00 0.00 54.79 54.21 2bla n ASP 9 Cb 0.61 -2.53 -0.09 0.00 -0.02 0.00 0.00 41.12 39.09 2bla n ASP 9 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2bla s ILE 10 N -3.32 5.10 0.38 0.53 1.01 -0.35 -0.55 121.20 123.99 2bla s ILE 10 Ca 0.32 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.66 2bla s ILE 10 Cb -0.15 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 2bla s ILE 10 CO 0.90 -0.43 0.12 -0.31 0.00 0.00 0.00 174.94 175.22 2bla s TYR 11 N 2.11 2.60 0.01 3.97 4.12 0.70 -1.01 117.35 129.85 2bla s TYR 11 Ca 0.11 -0.52 0.06 0.00 0.02 0.00 0.00 57.07 56.74 2bla s TYR 11 Cb -0.17 -1.79 -0.02 0.00 -1.52 0.00 0.00 41.96 38.46 2bla s TYR 11 CO 0.13 0.30 -0.17 0.00 0.02 0.00 0.00 175.55 175.82 2bla s ALA 12 N -2.56 1.46 -0.03 3.71 0.00 -0.29 -1.24 121.76 122.80 2bla s ALA 12 Ca 0.39 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2bla s ALA 12 Cb 0.02 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2bla s ALA 12 CO 0.21 0.34 -0.06 -1.50 0.00 0.00 0.00 175.76 174.75 2bla s ILE 13 N -0.56 0.62 0.31 0.00 2.07 -0.63 -0.13 121.20 122.87 2bla s ILE 13 Ca 0.06 -0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 58.94 2bla s ILE 13 Cb -0.07 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 41.94 2bla s ILE 13 CO 0.00 0.22 0.60 0.00 -1.91 0.00 0.00 174.94 173.85 2bla s ALA 15 N -3.37 0.20 0.05 0.00 0.00 -1.26 -1.57 121.76 115.81 2bla s ALA 15 Ca 0.20 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.44 2bla s ALA 15 Cb -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2bla s ALA 15 CO 0.12 -0.37 -0.18 0.00 0.00 0.00 0.00 175.76 175.32 2bla s LYS 18 N -3.99 4.70 0.14 0.00 1.02 -0.40 -1.83 119.74 119.37 2bla s LYS 18 Ca 0.15 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.22 2bla s LYS 18 Cb 0.01 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.19 2bla s LYS 18 CO 0.09 0.42 0.93 0.08 -0.92 0.00 0.00 175.35 175.94 2bla s VAL 19 N -1.38 4.41 -0.09 3.17 1.01 -1.26 -1.89 120.40 124.37 2bla s VAL 19 Ca 0.45 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 64.22 2bla s VAL 19 Cb -0.22 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2bla s VAL 19 CO 0.28 0.38 0.68 0.00 0.00 0.00 0.00 175.10 176.44 2bla s ALA 20 N -0.36 3.37 0.85 5.51 0.00 0.35 -4.59 121.76 126.89 2bla s ALA 20 Ca 0.44 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 2bla s ALA 20 Cb -0.24 -2.94 0.11 0.00 0.00 0.00 0.00 23.12 20.04 2bla s ALA 20 CO 0.30 -0.16 1.16 -1.25 0.00 0.00 0.00 175.76 175.81 2bla s PRO 21 N 0.93 1.46 -0.00 0.00 0.04 -1.26 -4.64 135.00 131.54 2bla s PRO 21 Ca 0.36 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.01 2bla s PRO 21 Cb -0.17 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2bla s PRO 21 CO 0.17 -2.31 -0.10 0.99 0.04 0.00 0.00 177.00 175.79 2bla s THR 22 N -2.47 0.79 -2.26 1.26 2.01 -1.26 -5.03 115.64 108.67 2bla s THR 22 Ca 0.69 -0.50 0.23 0.00 0.31 0.00 0.00 61.69 62.42 2bla s THR 22 Cb -0.24 -0.67 0.53 0.00 0.01 0.00 0.00 72.50 72.12 2bla s THR 22 CO 0.54 0.17 1.67 -1.54 -0.69 0.00 0.00 174.62 174.77 2bla n SER 23 N 2.69 1.22 -3.73 3.53 3.41 -1.26 -4.78 113.62 114.70 2bla n SER 23 Ca -0.14 -1.56 -0.12 0.00 -0.26 0.00 0.00 58.87 56.79 2bla n SER 23 Cb 0.56 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 2bla n SER 23 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2bla s GLU 24 N -1.89 0.23 0.00 4.33 1.03 -1.26 -5.13 118.70 116.01 2bla s GLU 24 Ca 0.34 0.52 0.00 0.00 0.03 0.00 0.00 54.97 55.86 2bla s GLU 24 Cb 0.18 -0.08 0.00 0.00 -0.80 0.00 0.00 34.13 33.43 2bla s GLU 24 CO 0.28 -0.14 0.00 0.41 -1.33 0.00 0.00 175.26 174.48 2bla n GLY 25 N 4.04 2.68 1.74 -3.83 0.00 -1.26 -4.83 105.19 103.73 2bla n GLY 25 Ca -0.23 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 43.74 2bla n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bla n THR 26 N -1.03 2.42 -1.23 2.61 -2.24 -1.26 -4.42 114.28 109.14 2bla n THR 26 Ca 0.00 -1.26 0.06 0.00 -2.27 0.00 0.00 64.05 60.58 2bla n THR 26 Cb 0.00 -0.24 0.20 0.00 -2.10 0.00 0.00 70.33 68.18 2bla n THR 26 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bla n LYS 27 N 0.64 1.90 -3.42 -0.78 4.76 -1.26 -4.98 118.16 115.02 2bla n LYS 27 Ca 0.25 -2.91 -0.40 0.00 -2.87 0.00 0.00 58.31 52.39 2bla n LYS 27 Cb 1.08 -1.68 -0.09 0.00 -1.84 0.00 0.00 35.03 32.50 2bla n LYS 27 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2bla s ASN 28 N -2.62 6.19 -0.74 4.39 2.47 -1.26 -4.94 114.94 118.44 2bla s ASN 28 Ca 0.39 0.04 0.04 0.00 0.42 0.00 0.00 52.86 53.74 2bla s ASN 28 Cb 0.34 -2.19 0.19 0.00 -1.45 0.00 0.00 41.25 38.13 2bla s ASN 28 CO 0.02 -0.24 0.57 -0.62 -3.72 0.00 0.00 177.10 173.12 2bla n GLU 29 N 5.33 2.05 0.05 0.43 1.02 -1.26 -4.94 120.64 123.33 2bla n GLU 29 Ca -0.09 -4.51 0.08 0.00 -0.02 0.00 0.00 57.16 52.61 2bla n GLU 29 Cb 0.50 -2.31 0.34 0.00 -0.02 0.00 0.00 31.44 29.95 2bla n GLU 29 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bla n PRO 30 N 1.90 0.07 -1.82 3.49 -0.04 -1.26 -3.01 135.00 134.33 2bla n PRO 30 Ca 0.21 0.38 -0.03 0.00 -0.04 0.00 0.00 63.50 64.02 2bla n PRO 30 Cb 0.36 -1.65 0.07 0.00 -0.04 0.00 0.00 33.50 32.23 2bla n PRO 30 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bla n PHE 31 N -1.79 0.94 -1.85 0.54 3.01 -1.26 -5.08 117.46 111.98 2bla n PHE 31 Ca 0.02 -1.55 -0.42 0.00 1.01 0.00 0.00 57.45 56.52 2bla n PHE 31 Cb 0.15 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.36 2bla n PHE 31 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2bla s SER 32 N -3.12 6.48 0.09 4.37 0.15 -1.16 -4.87 113.70 115.63 2bla s SER 32 Ca 0.36 2.79 0.16 0.00 0.70 0.00 0.00 55.95 59.96 2bla s SER 32 Cb 0.37 -2.61 0.67 0.00 -1.71 0.00 0.00 66.02 62.74 2bla s SER 32 CO -0.07 -0.87 1.49 -2.65 1.20 0.00 0.00 173.24 172.34 2bla n PRO 33 N 3.14 0.06 -3.79 5.44 -0.02 -1.26 -4.08 135.00 134.50 2bla n PRO 33 Ca 0.11 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 2bla n PRO 33 Cb 0.38 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.11 2bla n PRO 33 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2bla s ARG 34 N -3.12 2.22 0.55 -0.52 0.52 -1.26 -4.94 118.95 112.41 2bla s ARG 34 Ca 0.05 -2.26 0.28 0.00 -0.52 0.00 0.00 55.73 53.27 2bla s ARG 34 Cb 0.08 -3.59 1.62 0.00 0.52 0.00 0.00 34.95 33.58 2bla s ARG 34 CO 0.26 -1.12 2.17 1.15 0.02 0.00 0.00 175.30 177.78 2bla h THR 35 N 5.76 0.58 -3.52 0.02 2.02 -1.96 -3.36 112.91 112.45 2bla h THR 35 Ca -0.06 -0.25 -0.65 0.00 0.77 0.00 0.00 66.41 66.22 2bla h THR 35 Cb 0.98 1.16 -0.40 0.00 -1.74 0.00 0.00 68.15 68.15 2bla h THR 35 CO 0.69 0.06 -0.70 -0.36 0.37 0.00 0.00 175.52 175.58 2bla s PHE 36 N -4.46 3.34 0.00 3.16 0.08 -1.26 -3.92 117.98 114.91 2bla s PHE 36 Ca -0.04 -2.92 0.00 0.00 0.12 0.00 0.00 56.93 54.09 2bla s PHE 36 Cb 0.14 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.85 2bla s PHE 36 CO 0.57 -0.88 0.01 2.89 -0.10 0.00 0.00 175.22 177.71 2bla n ARG 37 N 3.95 0.11 -2.53 0.44 1.85 -1.11 -4.85 116.66 114.51 2bla n ARG 37 Ca 0.04 -0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.45 2bla n ARG 37 Cb 0.39 -0.28 -0.02 0.00 -1.05 0.00 0.00 32.46 31.50 2bla n ARG 37 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2bla s GLY 38 N -0.02 1.27 -0.23 2.89 0.00 -0.76 -0.86 107.32 109.60 2bla s GLY 38 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.41 2bla s GLY 38 CO 0.00 2.50 -0.09 -0.10 0.00 0.00 0.00 173.10 175.41 2bla n LEU 39 N 8.02 2.55 -3.82 0.66 7.94 -0.32 -1.79 117.00 130.23 2bla n LEU 39 Ca 0.13 -0.06 -0.08 0.00 -1.11 0.00 0.00 56.01 54.89 2bla n LEU 39 Cb 0.48 -0.76 -0.03 0.00 0.53 0.00 0.00 43.42 43.65 2bla n LEU 39 CO 0.70 0.87 0.37 -0.83 -1.11 0.00 0.00 177.39 177.39 2bla s GLY 40 N -6.24 -0.02 -0.24 -3.96 0.00 -0.90 -4.55 107.32 91.42 2bla s GLY 40 Ca -0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 2bla s GLY 40 CO 0.66 -0.21 0.41 0.21 0.00 0.00 0.00 173.10 174.17 2bla s ASN 41 N -2.91 -0.07 -1.16 1.64 3.84 1.00 -1.06 114.94 116.22 2bla s ASN 41 Ca 0.12 0.51 -0.05 0.00 0.21 0.00 0.00 52.86 53.65 2bla s ASN 41 Cb -0.04 1.30 -0.03 0.00 -0.55 0.00 0.00 41.25 41.93 2bla s ASN 41 CO 0.04 -0.28 0.88 0.29 -2.79 0.00 0.00 177.10 175.24 2bla n LYS 42 N 5.38 -3.87 -0.46 0.43 5.02 -1.26 -2.11 118.16 121.29 2bla n LYS 42 Ca -0.05 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2bla n LYS 42 Cb 0.50 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 2bla n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bla n GLY 43 N -1.34 0.67 3.52 0.72 0.00 -1.26 -4.95 105.19 102.56 2bla n GLY 43 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 2bla n GLY 43 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bla s THR 44 N -2.06 1.26 0.51 2.61 -1.32 -0.90 -4.98 115.64 110.77 2bla s THR 44 Ca 0.00 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 2bla s THR 44 Cb 0.00 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 68.22 2bla s THR 44 CO 0.00 0.00 1.17 -0.76 -2.21 0.00 0.00 174.62 172.82 2bla s LEU 45 N -3.59 3.86 0.22 9.08 1.02 -1.26 -0.00 118.68 128.01 2bla s LEU 45 Ca 0.31 2.29 -0.03 0.00 0.02 0.00 0.00 54.13 56.72 2bla s LEU 45 Cb 0.07 -4.42 0.21 0.00 0.02 0.00 0.00 46.19 42.07 2bla s LEU 45 CO 0.15 -1.15 1.63 -0.65 0.02 0.00 0.00 176.35 176.35 2bla h PRO 46 N 1.54 0.72 -0.32 1.29 0.11 -1.86 -3.10 132.00 130.39 2bla h PRO 46 Ca -0.50 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.31 2bla h PRO 46 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2bla h PRO 46 CO 0.58 0.90 0.00 -2.67 -0.21 0.00 0.00 178.00 176.60 2bla n TRP 47 N -4.10 0.41 0.00 0.65 2.14 -1.26 -4.73 117.44 110.55 2bla n TRP 47 Ca -0.00 -0.21 0.00 0.00 2.07 0.00 0.00 57.50 59.36 2bla n TRP 47 Cb 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.94 2bla n TRP 47 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2bla n LYS 48 N 1.11 0.00 -4.25 -2.67 4.76 -1.17 -4.71 118.16 111.23 2bla n LYS 48 Ca 0.18 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.44 2bla n LYS 48 Cb 0.51 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.57 2bla n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bla s ASN 50 N -1.15 0.35 0.24 0.00 3.84 -1.26 -5.06 114.94 111.90 2bla s ASN 50 Ca -0.01 -0.41 -0.05 0.00 0.21 0.00 0.00 52.86 52.60 2bla s ASN 50 Cb -0.08 1.12 0.43 0.00 -0.55 0.00 0.00 41.25 42.17 2bla s ASN 50 CO 0.01 -0.35 1.72 0.77 -2.79 0.00 0.00 177.10 176.45 2bla h SER 51 N 8.13 0.18 0.44 -4.21 4.64 -1.99 -2.03 113.55 118.70 2bla h SER 51 Ca -0.08 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2bla h SER 51 Cb 1.12 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2bla h SER 51 CO 0.26 0.06 -0.21 0.58 -0.87 0.00 0.00 176.83 176.64 2bla h VAL 52 N 0.37 0.56 -0.54 0.95 2.07 -1.97 -1.38 116.25 116.31 2bla h VAL 52 Ca 0.40 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.78 2bla h VAL 52 Cb 0.62 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2bla h VAL 52 CO -0.43 0.04 0.21 -0.78 0.02 0.00 0.00 177.57 176.64 2bla h ASP 53 N -0.72 0.24 -0.99 0.57 3.58 -1.95 0.15 116.42 117.30 2bla h ASP 53 Ca -0.06 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2bla h ASP 53 Cb 0.52 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 2bla h ASP 53 CO 0.10 0.16 0.66 0.24 -2.88 0.00 0.00 179.24 177.52 2bla h MET 54 N 0.41 1.28 -0.35 0.28 2.86 -1.28 0.39 114.93 118.51 2bla h MET 54 Ca 0.26 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2bla h MET 54 Cb 0.27 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2bla h MET 54 CO -0.25 0.84 -0.08 -0.22 1.06 0.00 0.00 176.91 178.26 2bla h LYS 55 N 1.31 0.68 0.49 1.72 3.64 -0.20 -0.26 116.57 123.95 2bla h LYS 55 Ca 0.38 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2bla h LYS 55 Cb -0.10 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2bla h LYS 55 CO -0.10 0.84 -0.24 -0.92 -2.27 0.00 0.00 179.45 176.77 2bla h TYR 56 N 0.47 -0.61 -0.58 1.91 3.20 -0.23 -1.73 116.97 119.40 2bla h TYR 56 Ca 0.09 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.05 2bla h TYR 56 Cb 0.59 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 2bla h TYR 56 CO 0.05 -0.32 0.16 0.35 -1.64 0.00 0.00 178.16 176.76 2bla h PHE 57 N -0.79 0.27 0.06 -3.82 3.57 -0.21 -0.95 116.94 115.07 2bla h PHE 57 Ca -0.07 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2bla h PHE 57 Cb 0.56 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2bla h PHE 57 CO -0.02 0.02 -0.14 -0.09 -2.23 0.00 0.00 178.31 175.85 2bla h ARG 58 N 0.31 -0.26 0.22 1.11 9.65 -1.00 -1.23 114.38 123.18 2bla h ARG 58 Ca 0.30 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.21 2bla h ARG 58 Cb 0.42 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2bla h ARG 58 CO -0.35 -0.17 -0.38 0.77 2.80 0.00 0.00 179.97 182.64 2bla h SER 59 N -0.27 -1.07 -0.05 -3.80 0.02 -0.73 -1.80 113.55 105.85 2bla h SER 59 Ca 0.03 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2bla h SER 59 Cb 0.30 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2bla h SER 59 CO -0.09 -0.48 -0.13 0.58 -1.14 0.00 0.00 176.83 175.57 2bla h VAL 60 N -0.68 0.67 0.00 2.27 2.07 -1.12 -0.12 116.25 119.34 2bla h VAL 60 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2bla h VAL 60 Cb 0.66 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2bla h VAL 60 CO -0.16 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.78 2bla n THR 61 N -5.26 0.03 -0.05 2.57 -2.24 -0.47 -3.53 114.28 105.32 2bla n THR 61 Ca -0.05 0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2bla n THR 61 Cb 0.18 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 2bla n THR 61 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bla n THR 62 N -1.05 0.67 -1.69 4.28 -1.04 -0.68 -4.69 114.28 110.08 2bla n THR 62 Ca 0.19 -0.31 -0.44 0.00 -2.04 0.00 0.00 64.05 61.44 2bla n THR 62 Cb 0.11 -0.85 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 2bla n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bla n TYR 63 N -2.65 2.46 -4.29 -1.42 4.19 -0.09 -4.75 117.16 110.61 2bla n TYR 63 Ca -0.19 0.18 -0.18 0.00 3.31 0.00 0.00 57.90 61.03 2bla n TYR 63 Cb 0.76 -2.59 -0.14 0.00 0.49 0.00 0.00 39.34 37.85 2bla n TYR 63 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2bla s VAL 64 N 0.98 0.73 -0.42 2.97 1.01 -1.26 -4.90 120.40 119.51 2bla s VAL 64 Ca 0.77 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2bla s VAL 64 Cb -0.61 -0.65 0.12 0.00 0.00 0.00 0.00 36.38 35.24 2bla s VAL 64 CO 0.36 0.06 0.16 -0.62 0.00 0.00 0.00 175.10 175.07 2bla s ASP 65 N -0.59 4.35 0.50 3.32 3.68 -1.26 -4.96 116.67 121.71 2bla s ASP 65 Ca 0.01 -2.51 0.24 0.00 2.13 0.00 0.00 52.55 52.42 2bla s ASP 65 Cb -0.05 -1.47 1.31 0.00 -1.45 0.00 0.00 42.92 41.27 2bla s ASP 65 CO 0.00 -0.31 1.95 -0.33 0.13 0.00 0.00 175.17 176.62 2bla h GLU 66 N 7.10 0.12 -0.01 4.34 4.39 -1.99 0.13 114.58 128.64 2bla h GLU 66 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2bla h GLU 66 Cb 0.96 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2bla h GLU 66 CO 0.58 0.08 0.00 -1.13 -1.16 0.00 0.00 179.01 177.37 2bla n SER 67 N -4.39 0.01 0.00 1.42 3.41 -1.26 -2.85 113.62 109.96 2bla n SER 67 Ca 0.13 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 2bla n SER 67 Cb 0.65 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2bla n SER 67 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bla n LYS 68 N -0.49 2.97 0.02 4.33 5.02 0.43 -4.82 118.16 125.63 2bla n LYS 68 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2bla n LYS 68 Cb 0.00 -0.25 0.29 0.00 -0.02 0.00 0.00 35.03 35.06 2bla n LYS 68 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2bla h TYR 69 N 0.00 0.49 -0.28 2.13 3.20 -1.46 -3.19 116.97 117.85 2bla h TYR 69 Ca 0.00 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.87 2bla h TYR 69 Cb 0.00 -0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.05 2bla h TYR 69 CO 0.00 0.53 -0.38 1.49 -1.64 0.00 0.00 178.16 178.17 2bla h GLU 70 N 0.44 -0.35 -0.41 1.82 4.81 -1.88 0.41 114.58 119.43 2bla h GLU 70 Ca 0.09 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2bla h GLU 70 Cb 0.40 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2bla h GLU 70 CO 0.02 -0.23 -0.05 -0.22 -0.73 0.00 0.00 179.01 177.80 2bla h LYS 71 N -0.36 0.05 -0.64 1.92 3.64 -1.92 -1.90 116.57 117.35 2bla h LYS 71 Ca 0.12 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2bla h LYS 71 Cb 0.58 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2bla h LYS 71 CO -0.47 0.03 0.42 -0.07 -2.27 0.00 0.00 179.45 177.09 2bla h LEU 72 N 0.05 0.71 -0.42 5.20 4.07 -1.30 -1.07 115.31 122.55 2bla h LEU 72 Ca 0.20 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.18 2bla h LEU 72 Cb 0.30 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 2bla h LEU 72 CO -0.38 0.50 0.20 0.50 -1.08 0.00 0.00 178.44 178.19 2bla h LYS 73 N 0.84 0.39 -0.39 1.13 3.64 0.46 -2.12 116.57 120.51 2bla h LYS 73 Ca 0.24 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2bla h LYS 73 Cb -0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2bla h LYS 73 CO -0.07 0.26 0.21 -1.49 -2.27 0.00 0.00 179.45 176.08 2bla h TRP 74 N 0.40 0.54 -0.96 1.91 6.55 -0.92 -1.04 115.95 122.43 2bla h TRP 74 Ca 0.19 -0.02 0.13 0.00 0.95 0.00 0.00 58.89 60.14 2bla h TRP 74 Cb 0.11 -0.17 -0.08 0.00 -0.86 0.00 0.00 29.16 28.16 2bla h TRP 74 CO -0.11 0.43 0.61 -0.22 -1.05 0.00 0.00 178.44 178.10 2bla h LYS 75 N 0.50 0.86 0.04 0.49 3.64 -0.83 -0.28 116.57 120.98 2bla h LYS 75 Ca 0.14 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.23 2bla h LYS 75 Cb 0.08 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2bla h LYS 75 CO -0.02 0.57 -1.14 0.00 -2.27 0.00 0.00 179.45 176.59 2bla h ARG 76 N 0.89 0.09 -0.16 1.90 3.08 -1.11 -3.04 114.38 116.03 2bla h ARG 76 Ca 0.48 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 2bla h ARG 76 Cb 0.57 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2bla h ARG 76 CO -0.25 1.04 -0.01 0.93 -1.07 0.00 0.00 179.97 180.61 2bla h GLU 77 N 0.02 0.30 -0.06 0.04 5.08 -0.51 -0.64 114.58 118.81 2bla h GLU 77 Ca -0.07 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2bla h GLU 77 Cb 1.85 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 2bla h GLU 77 CO 0.15 0.54 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.57 2bla h ARG 78 N 0.03 -0.04 -0.26 2.33 2.43 -1.16 0.12 114.38 117.83 2bla h ARG 78 Ca 0.04 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2bla h ARG 78 Cb 0.41 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 2bla h ARG 78 CO 0.01 -0.02 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.49 2bla h TYR 79 N -0.04 -0.09 -0.66 2.20 5.03 -1.49 -1.21 116.97 120.71 2bla h TYR 79 Ca 0.04 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 2bla h TYR 79 Cb 0.09 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 2bla h TYR 79 CO -0.14 -0.09 0.34 -0.07 -1.32 0.00 0.00 178.16 176.88 2bla h LEU 80 N 0.03 0.85 0.00 2.82 3.38 -0.79 -3.24 115.31 118.36 2bla h LEU 80 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bla h LEU 80 Cb 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2bla h LEU 80 CO -0.25 0.72 0.00 -1.14 0.09 0.00 0.00 178.44 177.87 2bla n ARG 81 N -4.49 0.00 0.00 1.13 0.63 0.40 -5.09 116.66 109.23 2bla n ARG 81 Ca 0.05 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2bla n ARG 81 Cb 0.11 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2bla n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bla n MET 82 N -1.32 0.00 -2.38 -0.14 0.00 -0.50 -5.10 117.12 107.68 2bla n MET 82 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 57.70 57.98 2bla n MET 82 Cb 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 33.22 31.76 2bla n MET 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2bla n ASN 103 N -1.28 -0.24 -2.76 3.17 2.85 -1.26 -4.82 115.26 110.92 2bla n ASN 103 Ca 0.00 -2.11 -0.20 0.00 -0.11 0.00 0.00 54.58 52.17 2bla n ASN 103 Cb 0.03 0.18 0.04 0.00 1.24 0.00 0.00 39.78 41.28 2bla n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bla n ALA 104 N -0.86 -0.92 -2.70 5.20 0.00 -1.26 -4.99 120.51 114.99 2bla n ALA 104 Ca -0.09 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 2bla n ALA 104 Cb 0.86 -3.84 -0.05 0.00 0.00 0.00 0.00 19.45 16.41 2bla n ALA 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bla s ASP 105 N -2.91 6.54 -0.09 0.00 1.01 -1.26 -5.02 116.67 114.94 2bla s ASP 105 Ca 0.33 0.63 -0.36 0.00 0.71 0.00 0.00 52.55 53.86 2bla s ASP 105 Cb -0.15 -2.11 -0.14 0.00 1.01 0.00 0.00 42.92 41.53 2bla s ASP 105 CO 0.41 0.21 1.73 1.17 0.21 0.00 0.00 175.17 178.89 2bla n LYS 106 N 0.93 1.74 -1.76 8.23 0.00 -1.26 -4.82 118.16 121.21 2bla n LYS 106 Ca -0.09 0.63 -0.42 0.00 0.00 0.00 0.00 58.31 58.43 2bla n LYS 106 Cb 0.52 -2.39 -0.03 0.00 0.00 0.00 0.00 35.03 33.13 2bla n LYS 106 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2bla s LEU 107 N 2.97 4.38 0.10 3.14 2.96 -1.26 -4.99 118.68 125.98 2bla s LEU 107 Ca 0.91 2.78 -0.09 0.00 -0.22 0.00 0.00 54.13 57.51 2bla s LEU 107 Cb -0.84 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.27 2bla s LEU 107 CO 0.53 -0.96 0.21 -1.10 -1.32 0.00 0.00 176.35 173.71 2bla s GLN 108 N 1.73 0.88 0.60 1.98 -0.21 -1.26 -4.97 119.66 118.41 2bla s GLN 108 Ca 0.76 -0.96 -0.03 0.00 0.02 0.00 0.00 55.36 55.15 2bla s GLN 108 Cb -0.47 0.35 0.03 0.00 1.00 0.00 0.00 33.01 33.92 2bla s GLN 108 CO 0.33 -0.29 0.87 -0.80 -2.12 0.00 0.00 175.29 173.29 2bla s ASN 109 N -2.87 5.23 -0.09 5.90 0.01 -1.26 -1.00 114.94 120.86 2bla s ASN 109 Ca 0.06 0.32 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 2bla s ASN 109 Cb 0.05 -1.19 -0.02 0.00 0.41 0.00 0.00 41.25 40.50 2bla s ASN 109 CO -0.10 -1.24 -0.12 -0.69 -1.51 0.00 0.00 177.10 173.43 2bla s VAL 110 N -2.95 3.16 -0.07 1.60 1.01 0.28 -1.34 120.40 122.09 2bla s VAL 110 Ca 0.57 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2bla s VAL 110 Cb -0.10 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2bla s VAL 110 CO 0.42 0.56 -0.23 0.68 0.00 0.00 0.00 175.10 176.53 2bla s VAL 111 N -0.19 2.24 -0.16 2.92 -7.23 -0.38 0.11 120.40 117.70 2bla s VAL 111 Ca 0.01 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 2bla s VAL 111 Cb -0.13 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2bla s VAL 111 CO 0.03 0.56 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.51 2bla s VAL 112 N -0.05 1.92 0.17 1.32 1.01 0.65 -0.85 120.40 124.58 2bla s VAL 112 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2bla s VAL 112 Cb -0.15 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2bla s VAL 112 CO 0.05 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 2bla s MET 113 N 1.19 1.12 0.72 2.72 0.23 -0.21 -1.77 119.30 123.30 2bla s MET 113 Ca 0.01 -1.53 -0.09 0.00 -1.03 0.00 0.00 55.69 53.05 2bla s MET 113 Cb -0.14 -0.42 0.05 0.00 -1.53 0.00 0.00 34.83 32.79 2bla s MET 113 CO -0.09 -0.07 1.06 0.20 -2.03 0.00 0.00 175.02 174.10 2bla s GLY 114 N -3.19 1.63 0.18 3.16 0.00 -0.39 -0.60 107.32 108.11 2bla s GLY 114 Ca 0.22 -0.66 -0.13 0.00 0.00 0.00 0.00 44.72 44.15 2bla s GLY 114 CO 0.03 -0.26 1.77 -0.09 0.00 0.00 0.00 173.10 174.55 2bla h ARG 115 N -0.68 0.42 -0.04 2.90 2.43 -1.92 -2.00 114.38 115.49 2bla h ARG 115 Ca -0.45 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 2bla h ARG 115 Cb 1.29 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 2bla h ARG 115 CO 0.63 0.28 -0.31 0.77 -1.51 0.00 0.00 179.97 179.82 2bla h SER 116 N 0.43 -0.94 -0.95 -3.80 0.02 -1.93 -0.08 113.55 106.29 2bla h SER 116 Ca 0.23 0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.41 2bla h SER 116 Cb 0.18 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 63.03 2bla h SER 116 CO -0.19 -0.37 0.59 0.78 -1.14 0.00 0.00 176.83 176.50 2bla h ASN 117 N -0.44 0.89 -0.63 3.07 -0.26 -1.88 -1.26 115.58 115.07 2bla h ASN 117 Ca 0.07 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.76 2bla h ASN 117 Cb 0.54 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 2bla h ASN 117 CO -0.29 0.50 0.05 -0.25 -1.06 0.00 0.00 177.43 176.38 2bla h TRP 118 N 0.98 1.16 0.00 1.19 2.91 -0.60 -2.62 115.95 118.98 2bla h TRP 118 Ca 0.46 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 60.29 2bla h TRP 118 Cb 0.38 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 2bla h TRP 118 CO -0.02 1.00 0.00 0.39 -1.03 0.00 0.00 178.44 178.78 2bla n GLU 119 N -4.19 0.46 -0.02 2.65 1.02 -0.11 -3.10 120.64 117.35 2bla n GLU 119 Ca 0.04 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 2bla n GLU 119 Cb 0.32 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.11 2bla n GLU 119 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bla n SER 120 N -1.16 1.03 -4.69 1.62 3.41 -0.85 -4.98 113.62 107.99 2bla n SER 120 Ca 0.13 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.29 2bla n SER 120 Cb 0.13 1.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.75 2bla n SER 120 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2bla n ILE 121 N -2.15 0.46 -1.67 -1.33 5.41 -1.17 -4.88 119.36 114.03 2bla n ILE 121 Ca -0.06 -0.12 -0.46 0.00 1.00 0.00 0.00 62.75 63.12 2bla n ILE 121 Cb 0.51 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.74 2bla n ILE 121 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2bla n PRO 122 N 2.87 2.05 -0.39 0.38 -0.02 -1.26 -4.76 135.00 133.87 2bla n PRO 122 Ca 0.14 0.74 0.33 0.00 -2.02 0.00 0.00 63.50 62.68 2bla n PRO 122 Cb 0.32 -2.45 0.60 0.00 -0.02 0.00 0.00 33.50 31.95 2bla n PRO 122 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2bla h LYS 123 N 5.07 0.10 -0.28 -0.52 1.79 -1.92 0.43 116.57 121.23 2bla h LYS 123 Ca -0.45 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2bla h LYS 123 Cb 1.27 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2bla h LYS 123 CO 0.82 0.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.26 2bla n GLN 124 N -4.94 1.49 0.00 3.15 0.00 -1.26 -3.43 117.38 112.39 2bla n GLN 124 Ca 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 57.00 56.71 2bla n GLN 124 Cb 1.31 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 30.33 2bla n GLN 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2bla n TYR 125 N 0.04 0.00 -4.09 2.61 4.01 0.15 -5.01 117.16 114.86 2bla n TYR 125 Ca 0.06 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.46 2bla n TYR 125 Cb 0.20 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.12 2bla n TYR 125 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2bla s LYS 126 N -0.68 3.83 0.67 -0.72 -2.85 -1.10 -1.87 119.74 117.02 2bla s LYS 126 Ca 0.00 -0.42 -0.14 0.00 -1.00 0.00 0.00 55.97 54.42 2bla s LYS 126 Cb 0.00 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.63 2bla s LYS 126 CO 0.00 0.19 1.08 -1.25 0.10 0.00 0.00 175.35 175.48 2bla s PRO 127 N 0.56 2.85 0.13 1.78 0.04 -1.26 -4.96 135.00 134.14 2bla s PRO 127 Ca 0.01 1.22 -0.34 0.00 0.04 0.00 0.00 61.00 61.93 2bla s PRO 127 Cb -0.13 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 2bla s PRO 127 CO 0.02 -1.19 1.59 1.28 0.04 0.00 0.00 177.00 178.74 2bla n LEU 128 N -2.66 3.02 -4.76 -3.56 4.77 -0.78 -4.88 117.00 108.15 2bla n LEU 128 Ca 0.09 1.07 -0.39 0.00 -0.03 0.00 0.00 56.01 56.75 2bla n LEU 128 Cb 0.53 -1.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.24 2bla n LEU 128 CO 0.50 -0.32 1.04 -2.84 -1.33 0.00 0.00 177.39 174.44 2bla s PRO 129 N 1.21 3.52 -1.51 3.23 0.02 -1.26 -3.05 135.00 137.17 2bla s PRO 129 Ca 0.81 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.17 2bla s PRO 129 Cb -0.70 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2bla s PRO 129 CO 0.40 -0.92 0.00 0.09 -0.33 0.00 0.00 177.00 176.24 2bla n ASN 130 N -0.45 -4.81 -3.79 2.53 3.02 -1.26 -4.95 115.26 105.55 2bla n ASN 130 Ca 0.07 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 2bla n ASN 130 Cb 0.43 -4.10 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 2bla n ASN 130 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2bla s ARG 131 N -4.66 0.43 -0.51 3.52 0.52 -1.17 -4.56 118.95 112.52 2bla s ARG 131 Ca 0.00 0.08 -0.26 0.00 -0.52 0.00 0.00 55.73 55.02 2bla s ARG 131 Cb 0.00 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.70 2bla s ARG 131 CO 0.00 -0.09 1.03 0.42 0.02 0.00 0.00 175.30 176.68 2bla s ILE 132 N -0.52 4.30 0.20 1.52 1.01 -0.45 -4.71 121.20 122.54 2bla s ILE 132 Ca -0.06 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.11 2bla s ILE 132 Cb -0.04 -4.56 -0.08 0.00 0.01 0.00 0.00 42.46 37.79 2bla s ILE 132 CO 0.02 -1.04 0.81 0.20 0.00 0.00 0.00 174.94 174.92 2bla s ASN 133 N 2.58 7.39 -0.03 3.58 0.02 -1.26 -1.25 114.94 125.98 2bla s ASN 133 Ca 0.39 1.69 0.01 0.00 -1.02 0.00 0.00 52.86 53.93 2bla s ASN 133 Cb -0.09 -2.52 0.02 0.00 0.02 0.00 0.00 41.25 38.68 2bla s ASN 133 CO 0.26 0.16 -0.02 -0.69 0.02 0.00 0.00 177.10 176.82 2bla s VAL 134 N -1.24 0.32 -0.11 1.60 1.01 -0.03 -1.72 120.40 120.23 2bla s VAL 134 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2bla s VAL 134 Cb -0.22 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.81 2bla s VAL 134 CO 0.26 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.62 2bla s VAL 135 N 0.65 1.85 -0.31 2.92 1.01 0.44 -1.04 120.40 125.92 2bla s VAL 135 Ca -0.07 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 2bla s VAL 135 Cb -0.10 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2bla s VAL 135 CO -0.01 0.51 0.77 -0.76 0.00 0.00 0.00 175.10 175.62 2bla s LEU 136 N 0.69 4.10 -0.23 3.92 1.43 0.23 -0.65 118.68 128.16 2bla s LEU 136 Ca -0.11 0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 53.32 2bla s LEU 136 Cb -0.16 -3.04 0.13 0.00 0.03 0.00 0.00 46.19 43.14 2bla s LEU 136 CO 0.02 -0.61 1.04 -0.55 0.23 0.00 0.00 176.35 176.47 2bla s SER 137 N 1.65 -0.40 -0.00 2.29 0.15 0.27 -3.16 113.70 114.49 2bla s SER 137 Ca 0.31 0.65 0.12 0.00 0.70 0.00 0.00 55.95 57.73 2bla s SER 137 Cb -0.14 0.61 0.34 0.00 -1.71 0.00 0.00 66.02 65.12 2bla s SER 137 CO 0.13 -0.22 1.28 0.29 1.20 0.00 0.00 173.24 175.92 2bla n LYS 138 N 1.59 2.87 -0.06 5.44 5.02 -1.26 -3.97 118.16 127.78 2bla n LYS 138 Ca -0.11 -2.11 -0.11 0.00 -2.02 0.00 0.00 58.31 53.95 2bla n LYS 138 Cb 0.57 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 2bla n LYS 138 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2bla n THR 139 N 0.59 0.64 -0.78 -0.18 -2.24 -1.26 -5.05 114.28 106.00 2bla n THR 139 Ca 0.13 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 2bla n THR 139 Cb 0.45 -1.45 0.16 0.00 -2.10 0.00 0.00 70.33 67.39 2bla n THR 139 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bla s LEU 140 N -6.36 2.88 0.04 3.22 1.02 -1.26 -5.06 118.68 113.16 2bla s LEU 140 Ca -0.16 2.16 -0.05 0.00 0.02 0.00 0.00 54.13 56.11 2bla s LEU 140 Cb 0.06 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.69 2bla s LEU 140 CO 0.22 -2.98 0.08 0.42 0.02 0.00 0.00 176.35 174.11 2bla s THR 141 N -2.65 0.14 0.39 5.49 -4.23 -1.26 -5.05 115.64 108.47 2bla s THR 141 Ca 0.67 -1.18 0.11 0.00 -1.18 0.00 0.00 61.69 60.11 2bla s THR 141 Cb -0.22 -0.96 0.32 0.00 1.34 0.00 0.00 72.50 72.98 2bla s THR 141 CO 0.57 -0.65 1.93 0.11 -0.54 0.00 0.00 174.62 176.04 2bla h LYS 142 N 3.60 0.56 -0.93 3.99 1.57 -1.97 -2.43 116.57 120.96 2bla h LYS 142 Ca -0.33 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.52 2bla h LYS 142 Cb 1.18 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 2bla h LYS 142 CO 0.52 0.37 0.60 0.93 -0.57 0.00 0.00 179.45 181.30 2bla h GLU 143 N 0.58 0.91 0.00 3.15 3.07 -2.02 -2.77 114.58 117.49 2bla h GLU 143 Ca 0.35 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2bla h GLU 143 Cb 0.59 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2bla h GLU 143 CO -0.13 0.60 -0.72 -0.44 -1.40 0.00 0.00 179.01 176.92 2bla h ASP 144 N 0.93 0.00 -3.66 1.42 3.32 -1.87 -3.43 116.42 113.13 2bla h ASP 144 Ca 0.43 -0.05 -0.69 0.00 0.02 0.00 0.00 57.03 56.74 2bla h ASP 144 Cb 0.41 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.65 2bla h ASP 144 CO -0.20 0.03 -0.63 -0.69 -1.72 0.00 0.00 179.24 176.03 2bla s VAL 145 N -3.29 3.38 -0.88 -1.35 1.01 -1.04 -4.96 120.40 113.27 2bla s VAL 145 Ca 0.03 -1.45 0.26 0.00 0.00 0.00 0.00 61.98 60.82 2bla s VAL 145 Cb 0.10 -3.02 0.24 0.00 0.00 0.00 0.00 36.38 33.70 2bla s VAL 145 CO 0.75 -0.28 1.82 0.29 0.00 0.00 0.00 175.10 177.68 2bla n LYS 146 N 4.69 0.10 -2.98 2.72 4.76 -1.26 -4.82 118.16 121.37 2bla n LYS 146 Ca -0.10 0.12 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 2bla n LYS 146 Cb 0.43 -1.62 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 2bla n LYS 146 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2bla s GLU 147 N -3.05 3.95 -0.15 1.97 8.01 -1.26 -5.02 118.70 123.15 2bla s GLU 147 Ca 0.12 0.67 -0.29 0.00 0.01 0.00 0.00 54.97 55.47 2bla s GLU 147 Cb 0.15 -2.38 -0.02 0.00 -4.31 0.00 0.00 34.13 27.57 2bla s GLU 147 CO 0.52 0.06 1.31 0.21 0.01 0.00 0.00 175.26 177.36 2bla s LYS 148 N -3.32 4.23 -0.28 1.61 2.47 -1.26 -4.96 119.74 118.23 2bla s LYS 148 Ca 0.54 1.72 -0.26 0.00 -1.56 0.00 0.00 55.97 56.42 2bla s LYS 148 Cb -0.10 -3.79 0.17 0.00 -1.46 0.00 0.00 37.83 32.65 2bla s LYS 148 CO 0.22 -0.72 1.28 0.54 0.16 0.00 0.00 175.35 176.83 2bla s VAL 149 N 3.55 0.00 0.24 4.02 0.11 -1.26 -4.68 120.40 122.38 2bla s VAL 149 Ca 0.57 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.38 2bla s VAL 149 Cb -0.23 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.53 2bla s VAL 149 CO 0.16 0.00 0.82 -0.36 -3.33 0.00 0.00 175.10 172.40 2bla s PHE 150 N -0.18 3.76 -0.10 1.54 0.40 -0.70 -4.94 117.98 117.75 2bla s PHE 150 Ca 0.06 1.62 0.04 0.00 -0.60 0.00 0.00 56.93 58.04 2bla s PHE 150 Cb -0.04 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.71 2bla s PHE 150 CO -0.10 0.35 -0.23 0.42 0.70 0.00 0.00 175.22 176.35 2bla s ILE 151 N -1.43 2.02 0.06 0.64 1.01 -1.26 -0.42 121.20 121.82 2bla s ILE 151 Ca 0.43 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2bla s ILE 151 Cb -0.20 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2bla s ILE 151 CO 0.24 0.55 -0.16 0.27 0.00 0.00 0.00 174.94 175.84 2bla s ILE 152 N 0.42 1.30 -0.01 2.92 -4.36 0.17 -4.94 121.20 116.70 2bla s ILE 152 Ca -0.17 -1.21 0.17 0.00 -0.26 0.00 0.00 60.65 59.18 2bla s ILE 152 Cb -0.18 -1.19 0.09 0.00 1.25 0.00 0.00 42.46 42.44 2bla s ILE 152 CO 0.07 -0.04 1.57 0.44 0.24 0.00 0.00 174.94 177.22 2bla h ASP 153 N 4.60 0.00 -5.09 4.36 3.45 -1.87 0.79 116.42 122.65 2bla h ASP 153 Ca -0.41 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.08 2bla h ASP 153 Cb 1.18 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 2bla h ASP 153 CO 0.42 0.45 0.34 -0.94 -1.57 0.00 0.00 179.24 177.95 2bla s SER 154 N -6.44 -0.02 0.19 6.45 1.04 -1.26 -4.66 113.70 109.01 2bla s SER 154 Ca 0.02 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.38 2bla s SER 154 Cb 0.09 0.76 0.10 0.00 0.10 0.00 0.00 66.02 67.07 2bla s SER 154 CO 0.72 -1.51 1.60 0.40 0.98 0.00 0.00 173.24 175.43 2bla h ILE 155 N 2.00 1.27 -0.71 -1.02 1.08 -2.00 -2.26 117.51 115.87 2bla h ILE 155 Ca -0.30 -1.34 0.13 0.00 -0.39 0.00 0.00 64.86 62.96 2bla h ILE 155 Cb 1.24 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 2bla h ILE 155 CO 0.38 0.46 0.47 0.44 -0.69 0.00 0.00 178.15 179.21 2bla h ASP 156 N 0.80 0.40 1.30 1.72 5.19 -2.00 0.44 116.42 124.27 2bla h ASP 156 Ca 0.11 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 2bla h ASP 156 Cb 0.74 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 2bla h ASP 156 CO 0.06 0.22 -0.29 0.44 -3.12 0.00 0.00 179.24 176.55 2bla h ASP 157 N 0.43 0.00 -0.25 6.45 3.32 -1.81 -2.45 116.42 122.11 2bla h ASP 157 Ca 0.34 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 2bla h ASP 157 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2bla h ASP 157 CO -0.11 0.29 -0.09 0.25 -1.72 0.00 0.00 179.24 177.86 2bla h LEU 158 N 0.00 0.52 0.27 1.55 5.85 0.13 -0.30 115.31 123.33 2bla h LEU 158 Ca -0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2bla h LEU 158 Cb 1.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2bla h LEU 158 CO 0.04 0.79 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.55 2bla h LEU 159 N 0.24 -0.84 -0.36 2.25 4.07 -1.01 0.17 115.31 119.83 2bla h LEU 159 Ca 0.06 0.08 0.08 0.00 0.08 0.00 0.00 57.88 58.18 2bla h LEU 159 Cb 0.58 0.29 -0.08 0.00 1.08 0.00 0.00 40.66 42.53 2bla h LEU 159 CO 0.03 -0.43 -0.18 -0.07 -1.08 0.00 0.00 178.44 176.71 2bla h LEU 160 N -0.62 -0.61 -0.31 1.67 3.38 -1.33 -0.20 115.31 117.28 2bla h LEU 160 Ca -0.01 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2bla h LEU 160 Cb 0.58 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2bla h LEU 160 CO -0.09 -0.22 -0.01 0.25 0.09 0.00 0.00 178.44 178.47 2bla h LEU 161 N -0.12 -0.14 -1.60 1.67 5.85 -0.58 -2.15 115.31 118.23 2bla h LEU 161 Ca 0.18 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2bla h LEU 161 Cb 0.40 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2bla h LEU 161 CO -0.44 -0.04 0.19 -0.07 -0.34 0.00 0.00 178.44 177.75 2bla h LEU 162 N 0.08 0.40 -2.45 2.25 3.38 0.38 -1.94 115.31 117.41 2bla h LEU 162 Ca 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2bla h LEU 162 Cb 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2bla h LEU 162 CO -0.26 0.32 -0.01 0.11 0.09 0.00 0.00 178.44 178.69 2bla h LYS 163 N 0.46 0.00 -1.31 1.13 1.57 -0.39 -3.09 116.57 114.94 2bla h LYS 163 Ca 0.12 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.46 2bla h LYS 163 Cb 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.91 2bla h LYS 163 CO -0.02 0.01 -1.05 1.17 -0.57 0.00 0.00 179.45 178.99 2bla n LYS 164 N -3.18 1.82 -3.72 3.15 3.00 -0.74 -5.05 118.16 113.44 2bla n LYS 164 Ca -0.02 -3.67 -0.12 0.00 -0.00 0.00 0.00 58.31 54.51 2bla n LYS 164 Cb 0.15 -1.60 -0.12 0.00 0.00 0.00 0.00 35.03 33.46 2bla n LYS 164 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2bla s LEU 165 N -3.17 0.21 -0.31 3.14 2.96 -1.17 -5.01 118.68 115.34 2bla s LEU 165 Ca 0.35 0.71 -0.24 0.00 -0.22 0.00 0.00 54.13 54.73 2bla s LEU 165 Cb 0.42 1.07 0.00 0.00 0.50 0.00 0.00 46.19 48.19 2bla s LEU 165 CO -0.04 -0.17 0.83 -0.75 -1.32 0.00 0.00 176.35 174.90 2bla s LYS 166 N 1.19 3.98 0.26 1.98 2.20 -1.26 -4.92 119.74 123.17 2bla s LYS 166 Ca -0.08 0.67 -0.16 0.00 -0.36 0.00 0.00 55.97 56.04 2bla s LYS 166 Cb -0.08 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2bla s LYS 166 CO -0.09 -0.71 0.57 1.52 -0.36 0.00 0.00 175.35 176.28 2bla s TYR 167 N 3.05 0.15 0.00 4.03 1.13 -1.26 -4.71 117.35 119.74 2bla s TYR 167 Ca 0.34 -0.55 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 2bla s TYR 167 Cb -0.14 0.39 0.00 0.00 -1.10 0.00 0.00 41.96 41.12 2bla s TYR 167 CO 0.13 -1.09 0.00 0.98 -2.51 0.00 0.00 175.55 173.05 2bla n TYR 168 N -0.41 0.00 -4.47 -3.49 9.36 -0.17 -4.91 117.16 113.07 2bla n TYR 168 Ca -0.03 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.97 2bla n TYR 168 Cb 0.61 -0.12 -0.10 0.00 -0.63 0.00 0.00 39.34 39.09 2bla n TYR 168 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2bla s LYS 169 N -0.62 1.65 -0.24 2.98 -0.14 -1.26 -4.88 119.74 117.24 2bla s LYS 169 Ca 0.00 -1.86 0.02 0.00 -1.36 0.00 0.00 55.97 52.77 2bla s LYS 169 Cb 0.00 -1.22 0.04 0.00 -1.68 0.00 0.00 37.83 34.97 2bla s LYS 169 CO 0.00 -0.00 -0.13 0.00 -0.76 0.00 0.00 175.35 174.46 2bla s PHE 171 N 1.18 3.21 -0.33 0.00 0.08 0.30 -0.21 117.98 122.20 2bla s PHE 171 Ca -0.04 -0.01 -0.15 0.00 0.12 0.00 0.00 56.93 56.86 2bla s PHE 171 Cb -0.18 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2bla s PHE 171 CO -0.07 0.08 0.36 0.42 -0.10 0.00 0.00 175.22 175.91 2bla s ILE 172 N 0.50 5.17 -1.57 0.64 -1.09 -0.38 -0.25 121.20 124.23 2bla s ILE 172 Ca 0.03 0.10 0.16 0.00 -2.23 0.00 0.00 60.65 58.71 2bla s ILE 172 Cb -0.13 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 2bla s ILE 172 CO 0.01 -0.06 0.88 2.30 -1.23 0.00 0.00 174.94 176.84 2bla n ILE 173 N 5.23 0.00 0.00 2.92 -5.35 -0.73 -1.61 119.36 119.82 2bla n ILE 173 Ca -0.09 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2bla n ILE 173 Cb 0.50 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 2bla n ILE 173 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bla n GLY 174 N 1.11 3.60 0.00 3.28 0.00 -1.23 -4.89 105.19 107.06 2bla n GLY 174 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2bla n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bla n GLY 175 N -1.21 5.29 0.14 -0.02 0.00 -1.26 -1.26 105.19 106.86 2bla n GLY 175 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 2bla n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bla n ALA 176 N -3.00 -0.21 0.25 4.61 0.00 -1.26 -0.70 120.51 120.19 2bla n ALA 176 Ca 0.00 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2bla n ALA 176 Cb 0.00 0.10 0.63 0.00 0.00 0.00 0.00 19.45 20.18 2bla n ALA 176 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2bla h GLN 177 N 0.00 0.00 -0.24 0.00 1.08 -1.96 -0.49 115.11 113.50 2bla h GLN 177 Ca 0.05 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.07 2bla h GLN 177 Cb 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2bla h GLN 177 CO -0.31 0.17 -0.57 0.28 -0.95 0.00 0.00 178.83 177.45 2bla h VAL 178 N 0.00 1.29 -0.14 -0.54 2.07 -1.23 -2.18 116.25 115.52 2bla h VAL 178 Ca -0.00 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 2bla h VAL 178 Cb 0.46 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2bla h VAL 178 CO 0.02 0.57 -0.37 1.88 0.02 0.00 0.00 177.57 179.69 2bla h TYR 179 N 0.58 0.65 -0.09 1.57 0.99 -0.84 -3.03 116.97 116.79 2bla h TYR 179 Ca 0.01 -0.25 -0.07 0.00 2.00 0.00 0.00 58.73 60.41 2bla h TYR 179 Cb 1.16 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 38.76 2bla h TYR 179 CO 0.06 0.99 -0.28 -0.09 -0.00 0.00 0.00 178.16 178.84 2bla h ARG 180 N 0.12 0.16 0.19 4.88 2.43 -1.10 -2.12 114.38 118.94 2bla h ARG 180 Ca -0.01 -0.05 -0.31 0.00 -0.81 0.00 0.00 59.98 58.81 2bla h ARG 180 Cb 0.98 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2bla h ARG 180 CO 0.08 0.43 -1.36 1.49 -1.51 0.00 0.00 179.97 179.11 2bla h GLU 181 N 0.15 0.42 -0.41 0.20 4.81 -1.46 -3.05 114.58 115.24 2bla h GLU 181 Ca 0.02 -0.70 -0.10 0.00 -0.13 0.00 0.00 59.36 58.45 2bla h GLU 181 Cb 0.57 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2bla h GLU 181 CO 0.04 1.33 -0.15 0.00 -0.73 0.00 0.00 179.01 179.51 2bla h LEU 183 N 0.67 -0.68 -1.86 0.00 3.38 -1.47 0.64 115.31 115.98 2bla h LEU 183 Ca 0.11 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.26 2bla h LEU 183 Cb 0.63 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2bla h LEU 183 CO 0.04 -0.31 0.54 0.77 0.09 0.00 0.00 178.44 179.57 2bla h SER 184 N -1.12 0.12 -0.41 -0.43 4.64 -1.56 0.89 113.55 115.68 2bla h SER 184 Ca -0.08 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2bla h SER 184 Cb 0.66 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2bla h SER 184 CO 0.14 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 2bla n ARG 185 N -4.37 2.58 -4.16 4.77 1.74 -0.81 -4.93 116.66 111.48 2bla n ARG 185 Ca 0.15 -1.73 -0.29 0.00 -0.77 0.00 0.00 57.85 55.21 2bla n ARG 185 Cb 0.76 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 2bla n ARG 185 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2bla n ASN 186 N 0.63 0.18 -1.19 0.55 5.03 0.31 -4.88 115.26 115.90 2bla n ASN 186 Ca 0.16 -1.17 0.06 0.00 0.87 0.00 0.00 54.58 54.50 2bla n ASN 186 Cb 0.56 -2.20 0.29 0.00 -1.02 0.00 0.00 39.78 37.41 2bla n ASN 186 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2bla n LEU 187 N -4.53 4.43 -4.07 3.41 4.77 0.18 -4.51 117.00 116.68 2bla n LEU 187 Ca -0.31 -3.09 -0.32 0.00 -0.03 0.00 0.00 56.01 52.26 2bla n LEU 187 Cb 0.69 -0.60 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 2bla n LEU 187 CO 0.80 0.72 -0.48 -0.63 -1.33 0.00 0.00 177.39 176.48 2bla s ILE 188 N -2.87 2.07 -0.08 -0.08 -1.09 -1.26 -4.48 121.20 113.42 2bla s ILE 188 Ca 0.46 -1.37 -0.21 0.00 -2.23 0.00 0.00 60.65 57.29 2bla s ILE 188 Cb 0.37 -2.10 -0.29 0.00 -1.58 0.00 0.00 42.46 38.86 2bla s ILE 188 CO 0.10 0.15 0.78 0.50 -1.23 0.00 0.00 174.94 175.24 2bla h LYS 189 N 7.84 0.25 -4.60 2.79 1.63 -1.29 -3.44 116.57 119.74 2bla h LYS 189 Ca -0.28 -0.42 -0.24 0.00 -0.85 0.00 0.00 60.65 58.87 2bla h LYS 189 Cb 1.07 0.16 -0.17 0.00 -0.60 0.00 0.00 32.23 32.69 2bla h LYS 189 CO 0.51 1.20 -0.71 -0.65 -3.45 0.00 0.00 179.45 176.35 2bla s GLN 190 N -2.42 0.71 -0.17 1.90 -0.21 -1.26 -0.89 119.66 117.32 2bla s GLN 190 Ca -0.16 -1.10 -0.00 0.00 0.02 0.00 0.00 55.36 54.11 2bla s GLN 190 Cb 0.01 -0.23 0.04 0.00 1.00 0.00 0.00 33.01 33.84 2bla s GLN 190 CO 0.79 0.01 -0.07 0.42 -2.12 0.00 0.00 175.29 174.32 2bla s ILE 191 N -2.74 1.24 -0.66 1.08 1.01 -0.26 -1.14 121.20 119.72 2bla s ILE 191 Ca 0.03 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 2bla s ILE 191 Cb -0.01 -1.37 0.08 0.00 0.01 0.00 0.00 42.46 41.17 2bla s ILE 191 CO -0.03 0.16 0.93 -0.31 0.00 0.00 0.00 174.94 175.69 2bla s TYR 192 N 1.58 2.74 -0.35 3.97 2.02 0.81 -1.86 117.35 126.26 2bla s TYR 192 Ca 0.01 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 55.97 2bla s TYR 192 Cb -0.15 -4.25 0.03 0.00 -0.40 0.00 0.00 41.96 37.19 2bla s TYR 192 CO -0.08 -1.59 0.15 0.12 -1.57 0.00 0.00 175.55 172.58 2bla s PHE 193 N 3.79 3.24 -0.04 2.71 2.19 -0.42 -1.22 117.98 128.23 2bla s PHE 193 Ca 0.21 -1.18 -0.19 0.00 0.33 0.00 0.00 56.93 56.10 2bla s PHE 193 Cb -0.17 -2.34 -0.05 0.00 -1.31 0.00 0.00 43.02 39.14 2bla s PHE 193 CO 0.09 -0.68 0.53 0.99 1.83 0.00 0.00 175.22 177.98 2bla s THR 194 N 1.48 5.01 -0.41 0.12 2.01 -0.61 -1.04 115.64 122.20 2bla s THR 194 Ca 0.00 1.10 -0.04 0.00 0.31 0.00 0.00 61.69 63.06 2bla s THR 194 Cb -0.19 -3.87 0.10 0.00 0.01 0.00 0.00 72.50 68.55 2bla s THR 194 CO 0.04 0.41 0.21 -0.13 -0.69 0.00 0.00 174.62 174.46 2bla s ARG 195 N -0.07 2.19 -0.20 4.92 0.52 -0.69 -0.48 118.95 125.13 2bla s ARG 195 Ca 0.28 -1.70 -0.29 0.00 -0.52 0.00 0.00 55.73 53.50 2bla s ARG 195 Cb -0.17 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.69 2bla s ARG 195 CO 0.15 -1.02 1.08 0.42 0.02 0.00 0.00 175.30 175.95 2bla s ILE 196 N 1.22 4.61 -1.27 1.52 -1.09 0.18 -2.97 121.20 123.41 2bla s ILE 196 Ca 0.06 1.93 -0.12 0.00 -2.23 0.00 0.00 60.65 60.29 2bla s ILE 196 Cb -0.23 -4.25 0.15 0.00 -1.58 0.00 0.00 42.46 36.56 2bla s ILE 196 CO -0.03 -0.15 1.70 -3.20 -1.23 0.00 0.00 174.94 172.04 2bla n ASN 197 N 6.21 5.05 -3.53 3.58 2.85 0.10 -3.49 115.26 126.03 2bla n ASN 197 Ca 0.12 -3.02 -0.11 0.00 -0.11 0.00 0.00 54.58 51.46 2bla n ASN 197 Cb 0.46 -1.55 -0.04 0.00 1.24 0.00 0.00 39.78 39.89 2bla n ASN 197 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2bla s GLY 198 N 2.13 -0.41 -0.10 8.20 0.00 -1.26 -4.22 107.32 111.66 2bla s GLY 198 Ca 0.43 1.49 -0.16 0.00 0.00 0.00 0.00 44.72 46.48 2bla s GLY 198 CO 0.00 0.75 0.41 0.00 0.00 0.00 0.00 173.10 174.27 2bla s ALA 199 N -1.89 3.57 0.03 3.20 0.00 -1.26 -1.28 121.76 124.13 2bla s ALA 199 Ca -0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 2bla s ALA 199 Cb -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2bla s ALA 199 CO -0.01 0.16 0.19 0.71 0.00 0.00 0.00 175.76 176.81 2bla s TYR 200 N 0.11 0.03 0.23 0.00 1.51 -0.79 -4.78 117.35 113.66 2bla s TYR 200 Ca 0.23 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.79 2bla s TYR 200 Cb -0.15 -0.02 -0.09 0.00 -0.11 0.00 0.00 41.96 41.59 2bla s TYR 200 CO 0.09 -0.40 1.25 -2.14 -1.11 0.00 0.00 175.55 173.24 2bla s PRO 201 N -2.24 4.45 0.08 -1.71 0.02 -1.26 0.13 135.00 134.47 2bla s PRO 201 Ca -0.08 2.00 0.03 0.00 0.02 0.00 0.00 61.00 62.97 2bla s PRO 201 Cb -0.03 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 2bla s PRO 201 CO -0.02 -0.12 -0.09 0.00 -0.33 0.00 0.00 177.00 176.44 2bla n ASP 203 N 0.71 0.06 -4.12 0.00 5.68 -0.23 -4.96 116.55 113.69 2bla n ASP 203 Ca -0.17 -0.12 -0.26 0.00 -0.50 0.00 0.00 54.79 53.73 2bla n ASP 203 Cb 0.57 0.25 -0.16 0.00 -1.14 0.00 0.00 41.12 40.64 2bla n ASP 203 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2bla s VAL 204 N -0.26 1.44 0.26 2.12 1.01 -0.83 -5.01 120.40 119.12 2bla s VAL 204 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2bla s VAL 204 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2bla s VAL 204 CO 0.00 0.42 -0.10 -0.36 0.00 0.00 0.00 175.10 175.06 2bla s PHE 205 N 0.22 1.91 0.23 5.22 0.08 -1.26 -1.18 117.98 123.20 2bla s PHE 205 Ca -0.08 -0.62 -0.30 0.00 0.12 0.00 0.00 56.93 56.05 2bla s PHE 205 Cb -0.13 -1.00 -0.09 0.00 -0.57 0.00 0.00 43.02 41.23 2bla s PHE 205 CO 0.03 0.35 1.10 0.12 -0.10 0.00 0.00 175.22 176.72 2bla s PHE 206 N -2.95 3.60 0.77 0.36 5.36 -0.04 -4.78 117.98 120.29 2bla s PHE 206 Ca 0.27 1.65 -0.11 0.00 -0.96 0.00 0.00 56.93 57.78 2bla s PHE 206 Cb 0.01 -3.27 0.06 0.00 -0.34 0.00 0.00 43.02 39.48 2bla s PHE 206 CO 0.11 -0.57 1.10 -1.25 -1.46 0.00 0.00 175.22 173.15 2bla s PRO 207 N -0.90 2.20 0.16 10.12 0.04 -1.26 -5.00 135.00 140.36 2bla s PRO 207 Ca 0.47 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 2bla s PRO 207 Cb -0.31 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2bla s PRO 207 CO 0.38 -1.70 0.56 -1.83 0.04 0.00 0.00 177.00 174.45 2bla s GLU 208 N -4.71 3.98 0.15 4.56 4.04 -1.26 -5.06 118.70 120.40 2bla s GLU 208 Ca 0.63 0.49 0.01 0.00 0.04 0.00 0.00 54.97 56.14 2bla s GLU 208 Cb -0.19 -2.91 -0.04 0.00 0.02 0.00 0.00 34.13 31.01 2bla s GLU 208 CO 0.53 0.46 0.02 -0.59 -1.84 0.00 0.00 175.26 173.85 2bla s PHE 209 N -1.50 1.05 -0.76 4.83 -0.71 -1.26 -5.02 117.98 114.61 2bla s PHE 209 Ca 0.39 -1.10 -0.26 0.00 -1.04 0.00 0.00 56.93 54.92 2bla s PHE 209 Cb -0.15 -0.60 -0.08 0.00 -1.21 0.00 0.00 43.02 40.99 2bla s PHE 209 CO 0.19 -0.33 2.15 0.34 -1.34 0.00 0.00 175.22 176.23 2bla s ASP 210 N -3.11 4.66 0.42 1.98 -1.08 -1.26 -4.79 116.67 113.49 2bla s ASP 210 Ca 0.23 -0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.38 2bla s ASP 210 Cb 0.07 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.03 2bla s ASP 210 CO 0.02 -3.08 1.90 -0.33 0.52 0.00 0.00 175.17 174.21 2bla h GLU 211 N 13.47 0.42 -0.76 4.34 4.39 -1.98 -2.44 114.58 132.01 2bla h GLU 211 Ca -0.04 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2bla h GLU 211 Cb 1.06 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 2bla h GLU 211 CO 1.14 0.28 0.50 0.66 -1.16 0.00 0.00 179.01 180.43 2bla h SER 212 N 0.43 0.73 -0.06 1.42 4.64 -1.97 -1.75 113.55 116.99 2bla h SER 212 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2bla h SER 212 Cb 0.91 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2bla h SER 212 CO -0.14 0.47 0.00 -1.84 -0.87 0.00 0.00 176.83 174.46 2bla n GLU 213 N -4.48 1.23 -3.84 4.77 0.28 -0.92 -4.64 120.64 113.04 2bla n GLU 213 Ca 0.11 -0.35 -0.26 0.00 -0.16 0.00 0.00 57.16 56.50 2bla n GLU 213 Cb 0.21 -1.28 -0.17 0.00 1.43 0.00 0.00 31.44 31.62 2bla n GLU 213 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2bla s PHE 214 N -1.92 1.20 -0.07 -1.84 0.40 -0.66 -2.02 117.98 113.07 2bla s PHE 214 Ca 0.26 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2bla s PHE 214 Cb 0.13 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 2bla s PHE 214 CO 0.20 -0.48 -0.05 -0.98 0.70 0.00 0.00 175.22 174.61 2bla s ARG 215 N 1.80 2.81 -0.22 0.44 1.70 -0.98 -4.86 118.95 119.63 2bla s ARG 215 Ca 0.04 -0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 54.49 2bla s ARG 215 Cb -0.13 -2.65 -0.03 0.00 -0.57 0.00 0.00 34.95 31.57 2bla s ARG 215 CO -0.07 0.67 1.70 0.08 -1.08 0.00 0.00 175.30 176.60 2bla s VAL 216 N -0.85 3.59 -1.51 4.99 1.01 -1.26 -1.48 120.40 124.88 2bla s VAL 216 Ca 0.13 0.65 0.14 0.00 0.00 0.00 0.00 61.98 62.90 2bla s VAL 216 Cb -0.11 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.71 2bla s VAL 216 CO 0.02 -0.28 0.86 0.35 0.00 0.00 0.00 175.10 176.05 2bla n THR 217 N 6.58 0.00 -3.67 3.92 -2.24 1.00 -4.94 114.28 114.92 2bla n THR 217 Ca 0.20 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 2bla n THR 217 Cb 0.45 1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 69.81 2bla n THR 217 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2bla s SER 218 N -1.41 -0.31 -0.28 3.42 0.01 -1.06 -4.97 113.70 109.11 2bla s SER 218 Ca 0.14 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.31 2bla s SER 218 Cb 0.11 1.05 0.08 0.00 0.21 0.00 0.00 66.02 67.47 2bla s SER 218 CO 0.25 -0.22 0.04 -0.69 0.41 0.00 0.00 173.24 173.03 2bla s VAL 219 N 2.09 1.27 0.93 3.43 1.01 -1.26 -2.14 120.40 125.73 2bla s VAL 219 Ca -0.05 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 2bla s VAL 219 Cb -0.11 -1.80 0.15 0.00 0.00 0.00 0.00 36.38 34.62 2bla s VAL 219 CO -0.12 -0.43 1.15 -0.94 0.00 0.00 0.00 175.10 174.75 2bla s SER 220 N 1.46 3.37 0.98 3.32 1.04 -0.83 -5.05 113.70 117.99 2bla s SER 220 Ca 0.04 0.90 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 2bla s SER 220 Cb -0.18 -1.42 0.18 0.00 0.10 0.00 0.00 66.02 64.70 2bla s SER 220 CO -0.14 -2.63 1.16 -0.70 0.98 0.00 0.00 173.24 171.91 2bla s GLU 221 N -5.33 0.53 0.42 4.02 2.56 -1.26 -4.71 118.70 114.93 2bla s GLU 221 Ca 0.65 0.12 -0.19 0.00 0.00 0.00 0.00 54.97 55.54 2bla s GLU 221 Cb -0.14 -1.78 -0.10 0.00 2.00 0.00 0.00 34.13 34.11 2bla s GLU 221 CO 0.53 -2.57 0.91 0.08 -0.56 0.00 0.00 175.26 173.65 2bla s VAL 222 N -3.30 4.46 0.20 3.70 1.01 -1.26 -4.52 120.40 120.69 2bla s VAL 222 Ca 0.67 1.35 0.05 0.00 0.00 0.00 0.00 61.98 64.05 2bla s VAL 222 Cb -0.12 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2bla s VAL 222 CO 0.54 -0.33 -0.07 -0.31 0.00 0.00 0.00 175.10 174.93 2bla s TYR 223 N -2.19 1.53 -0.08 5.22 1.51 0.14 -4.96 117.35 118.53 2bla s TYR 223 Ca 0.60 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2bla s TYR 223 Cb -0.09 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 2bla s TYR 223 CO 0.16 0.12 -0.11 1.21 -1.11 0.00 0.00 175.55 175.81 2bla s ASN 224 N -3.27 1.88 -0.54 2.29 2.47 -1.26 -0.45 114.94 116.05 2bla s ASN 224 Ca 0.23 -0.30 0.04 0.00 0.42 0.00 0.00 52.86 53.24 2bla s ASN 224 Cb 0.03 -0.84 0.15 0.00 -1.45 0.00 0.00 41.25 39.14 2bla s ASN 224 CO 0.06 0.00 0.35 -0.55 -3.72 0.00 0.00 177.10 173.24 2bla s SER 225 N 0.89 3.86 -1.07 -4.21 0.15 0.32 -4.85 113.70 108.79 2bla s SER 225 Ca -0.10 -3.20 -0.04 0.00 0.70 0.00 0.00 55.95 53.30 2bla s SER 225 Cb -0.15 -1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 62.83 2bla s SER 225 CO 0.01 -0.18 0.92 0.29 1.20 0.00 0.00 173.24 175.48 2bla n LYS 226 N 2.80 -3.24 0.00 5.44 5.02 -1.26 -2.76 118.16 124.16 2bla n LYS 226 Ca 0.15 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 2bla n LYS 226 Cb 0.36 -5.78 0.00 0.00 -0.02 0.00 0.00 35.03 29.59 2bla n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bla n GLY 227 N -1.21 2.78 3.54 0.72 0.00 -1.26 -4.96 105.19 104.80 2bla n GLY 227 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2bla n GLY 227 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bla s THR 228 N -1.53 5.04 0.62 2.61 2.01 -1.11 -5.06 115.64 118.22 2bla s THR 228 Ca 0.00 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 2bla s THR 228 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2bla s THR 228 CO 0.00 -0.25 0.99 0.42 -0.69 0.00 0.00 174.62 175.09 2bla s THR 229 N 2.32 4.21 0.07 -0.82 -4.23 -1.26 -0.52 115.64 115.41 2bla s THR 229 Ca 0.17 0.52 -0.27 0.00 -1.18 0.00 0.00 61.69 60.93 2bla s THR 229 Cb -0.16 -3.69 0.09 0.00 1.34 0.00 0.00 72.50 70.08 2bla s THR 229 CO 0.13 -0.84 0.98 -1.48 -0.54 0.00 0.00 174.62 172.87 2bla s LEU 230 N -5.14 -0.22 0.26 4.79 2.34 0.41 -0.72 118.68 120.40 2bla s LEU 230 Ca 0.55 -0.23 -0.13 0.00 0.06 0.00 0.00 54.13 54.37 2bla s LEU 230 Cb -0.11 2.00 0.00 0.00 -0.56 0.00 0.00 46.19 47.52 2bla s LEU 230 CO 0.51 -0.72 0.53 1.51 -1.06 0.00 0.00 176.35 177.11 2bla s ASP 231 N -2.77 -0.05 -0.12 1.48 3.84 -1.16 0.28 116.67 118.18 2bla s ASP 231 Ca 0.10 -0.93 0.01 0.00 -0.00 0.00 0.00 52.55 51.73 2bla s ASP 231 Cb -0.01 0.62 0.02 0.00 -1.38 0.00 0.00 42.92 42.18 2bla s ASP 231 CO -0.02 -1.20 -0.14 -0.36 -0.00 0.00 0.00 175.17 173.44 2bla s PHE 232 N -3.87 1.99 0.30 2.11 0.08 -1.26 -1.70 117.98 115.64 2bla s PHE 232 Ca 0.21 -1.02 0.09 0.00 0.12 0.00 0.00 56.93 56.33 2bla s PHE 232 Cb -0.02 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2bla s PHE 232 CO 0.10 -0.55 0.09 -0.51 -0.10 0.00 0.00 175.22 174.24 2bla s LEU 233 N 1.25 3.27 -0.09 -0.37 1.43 -0.21 -1.97 118.68 121.98 2bla s LEU 233 Ca -0.01 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2bla s LEU 233 Cb -0.14 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2bla s LEU 233 CO -0.06 -0.16 0.18 -0.69 0.23 0.00 0.00 176.35 175.86 2bla s VAL 234 N -2.37 -0.21 0.03 -1.59 1.01 -0.91 -1.30 120.40 115.06 2bla s VAL 234 Ca 0.35 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2bla s VAL 234 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2bla s VAL 234 CO 0.22 0.11 -0.01 -0.31 0.00 0.00 0.00 175.10 175.11 2bla s TYR 235 N 1.90 3.01 -0.06 5.22 1.51 -0.78 -0.00 117.35 128.14 2bla s TYR 235 Ca -0.02 0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2bla s TYR 235 Cb -0.12 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 2bla s TYR 235 CO -0.07 0.45 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.55 2bla s SER 236 N -1.77 2.11 -0.57 2.29 0.01 -0.55 -1.10 113.70 114.12 2bla s SER 236 Ca 0.21 -0.36 -0.26 0.00 1.31 0.00 0.00 55.95 56.85 2bla s SER 236 Cb -0.11 -0.84 -0.06 0.00 0.21 0.00 0.00 66.02 65.21 2bla s SER 236 CO 0.12 0.09 2.24 -0.75 0.41 0.00 0.00 173.24 175.36 2bla s LYS 237 N 0.40 2.21 0.00 12.44 2.20 -0.07 -2.33 119.74 134.59 2bla s LYS 237 Ca -0.12 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 2bla s LYS 237 Cb -0.15 -4.57 0.00 0.00 -1.51 0.00 0.00 37.83 31.60 2bla s LYS 237 CO 0.04 -3.25 0.22 0.28 -0.36 0.00 0.00 175.35 172.28