#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8l s THR 2 N 0.00 0.70 -0.10 1.12 2.01 -1.26 -4.98 115.64 113.13 2i8l s THR 2 Ca 0.00 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 2i8l s THR 2 Cb 0.00 -0.59 0.05 0.00 0.01 0.00 0.00 72.50 71.97 2i8l s THR 2 CO 0.00 0.20 0.14 -0.62 -0.69 0.00 0.00 174.62 173.65 2i8l s ASP 3 N -0.19 1.12 0.03 3.53 -1.08 -1.26 -0.47 116.67 118.36 2i8l s ASP 3 Ca 0.03 0.09 0.03 0.00 -0.52 0.00 0.00 52.55 52.18 2i8l s ASP 3 Cb -0.04 0.13 -0.04 0.00 -1.46 0.00 0.00 42.92 41.52 2i8l s ASP 3 CO -0.00 -0.27 -0.01 0.68 0.52 0.00 0.00 175.17 176.08 2i8l s VAL 4 N 2.25 4.01 -0.31 1.11 -7.23 -1.01 -1.15 120.40 118.07 2i8l s VAL 4 Ca 0.04 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 2i8l s VAL 4 Cb -0.13 -2.82 0.08 0.00 0.56 0.00 0.00 36.38 34.07 2i8l s VAL 4 CO -0.06 0.29 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.79 2i8l s LEU 5 N -1.80 4.24 -0.67 1.32 2.96 -0.76 -1.94 118.68 122.03 2i8l s LEU 5 Ca 0.21 -1.82 -0.19 0.00 -0.22 0.00 0.00 54.13 52.12 2i8l s LEU 5 Cb -0.11 -1.61 0.11 0.00 0.50 0.00 0.00 46.19 45.08 2i8l s LEU 5 CO 0.13 -0.31 0.80 -0.22 -1.32 0.00 0.00 176.35 175.43 2i8l s LEU 6 N 1.00 5.36 0.31 -0.68 2.96 -0.08 -0.91 118.68 126.63 2i8l s LEU 6 Ca 0.02 -1.59 -0.29 0.00 -0.22 0.00 0.00 54.13 52.06 2i8l s LEU 6 Cb -0.20 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.08 2i8l s LEU 6 CO -0.06 -1.10 1.13 0.00 -1.32 0.00 0.00 176.35 175.00 2i8l s VAL 8 N -1.22 0.02 0.00 0.00 1.01 -0.38 -0.85 120.40 118.98 2i8l s VAL 8 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2i8l s VAL 8 Cb -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2i8l s VAL 8 CO 0.42 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2i8l n GLY 9 N 2.79 1.28 3.16 4.51 0.00 -0.10 -2.23 105.19 114.61 2i8l n GLY 9 Ca -0.14 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2i8l n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i8l s ASN 10 N 0.00 3.29 0.31 1.61 3.84 -1.13 -2.18 114.94 120.69 2i8l s ASN 10 Ca 0.00 -0.60 0.21 0.00 0.21 0.00 0.00 52.86 52.68 2i8l s ASN 10 Cb 0.00 -1.51 1.14 0.00 -0.55 0.00 0.00 41.25 40.34 2i8l s ASN 10 CO 0.00 0.02 1.64 -1.20 -2.79 0.00 0.00 177.10 174.78 2i8l n SER 11 N 4.47 0.55 -0.08 -4.21 7.64 -1.26 -1.88 113.62 118.85 2i8l n SER 11 Ca -0.20 0.76 0.02 0.00 1.01 0.00 0.00 58.87 60.46 2i8l n SER 11 Cb 0.51 -0.83 0.03 0.00 -1.01 0.00 0.00 64.21 62.91 2i8l n SER 11 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2i8l n MET 12 N -2.24 1.57 -1.14 1.43 0.00 -1.26 -4.76 117.12 110.72 2i8l n MET 12 Ca -0.01 -1.46 -0.25 0.00 0.00 0.00 0.00 57.70 55.97 2i8l n MET 12 Cb 0.03 -0.94 0.13 0.00 0.00 0.00 0.00 33.22 32.44 2i8l n MET 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2i8l n MET 13 N -0.54 2.24 0.00 3.17 0.00 -0.79 -0.50 117.12 120.70 2i8l n MET 13 Ca 0.04 -2.75 0.00 0.00 0.00 0.00 0.00 57.70 54.99 2i8l n MET 13 Cb 0.45 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.59 2i8l n MET 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2i8l n GLY 14 N -0.85 0.40 0.18 -5.12 0.00 -0.64 -1.97 105.19 97.19 2i8l n GLY 14 Ca 0.54 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2i8l n GLY 14 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i8l h ASP 15 N 8.77 0.00 0.00 1.61 3.32 -1.31 -2.38 116.42 126.43 2i8l h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2i8l h ASP 15 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2i8l h ASP 15 CO 0.00 0.00 0.01 -0.78 -1.72 0.00 0.00 179.24 176.75 2i8l h ASP 16 N 0.00 0.00 0.00 6.45 3.58 -1.77 -2.92 116.42 121.76 2i8l h ASP 16 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2i8l h ASP 16 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2i8l h ASP 16 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2i8l n GLY 17 N -1.22 0.55 0.21 -0.78 0.00 -0.89 -2.84 105.19 100.21 2i8l n GLY 17 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2i8l n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8l h ALA 18 N 1.75 -0.45 0.49 4.61 0.00 -1.75 -1.21 119.26 122.71 2i8l h ALA 18 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2i8l h ALA 18 Cb 0.23 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2i8l h ALA 18 CO 0.00 -0.75 -0.24 0.78 0.00 0.00 0.00 179.25 179.04 2i8l h GLY 19 N -0.45 -0.69 -0.05 0.00 0.00 -1.59 -2.26 103.07 98.03 2i8l h GLY 19 Ca -0.04 0.26 0.23 0.00 0.00 0.00 0.00 47.33 47.77 2i8l h GLY 19 CO 0.07 -0.25 0.61 -2.55 0.00 0.00 0.00 176.54 174.41 2i8l h PRO 20 N -0.70 0.60 -0.27 4.80 0.11 -1.71 0.11 132.00 134.94 2i8l h PRO 20 Ca -0.07 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.83 2i8l h PRO 20 Cb 0.53 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 2i8l h PRO 20 CO 0.11 0.40 -0.54 1.25 -0.21 0.00 0.00 178.00 179.01 2i8l h LEU 21 N 0.62 0.88 -0.23 2.35 5.85 -1.12 -1.43 115.31 122.24 2i8l h LEU 21 Ca 0.62 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2i8l h LEU 21 Cb 1.15 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2i8l h LEU 21 CO -0.43 1.24 0.13 0.25 -0.34 0.00 0.00 178.44 179.30 2i8l h LEU 22 N 0.61 0.28 -0.91 2.25 5.85 -0.57 -1.70 115.31 121.12 2i8l h LEU 22 Ca 0.02 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2i8l h LEU 22 Cb 1.13 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2i8l h LEU 22 CO 0.12 0.26 0.59 0.00 -0.34 0.00 0.00 178.44 179.07 2i8l h ALA 23 N 1.03 1.20 -0.14 1.25 0.00 -0.80 -0.25 119.26 121.55 2i8l h ALA 23 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2i8l h ALA 23 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2i8l h ALA 23 CO -0.01 0.45 0.08 1.49 0.00 0.00 0.00 179.25 181.26 2i8l h GLU 24 N 1.15 0.19 -0.26 0.00 4.81 -0.96 0.83 114.58 120.34 2i8l h GLU 24 Ca 0.36 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2i8l h GLU 24 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2i8l h GLU 24 CO -0.12 0.17 0.15 0.87 -0.73 0.00 0.00 179.01 179.35 2i8l h LYS 25 N 0.15 0.36 -0.71 1.92 1.57 -0.88 -0.38 116.57 118.61 2i8l h LYS 25 Ca 0.05 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2i8l h LYS 25 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2i8l h LYS 25 CO -0.01 0.32 0.23 0.00 -0.57 0.00 0.00 179.45 179.42 2i8l h ALA 27 N 1.11 1.03 -0.25 0.00 0.00 -0.56 -1.91 119.26 118.68 2i8l h ALA 27 Ca 0.23 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2i8l h ALA 27 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2i8l h ALA 27 CO -0.01 0.66 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 2i8l h ALA 28 N 1.16 0.87 -1.24 0.00 0.00 -0.72 -3.42 119.26 115.92 2i8l h ALA 28 Ca 0.24 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2i8l h ALA 28 Cb 0.29 -0.11 -0.23 0.00 0.00 0.00 0.00 17.79 17.74 2i8l h ALA 28 CO -0.01 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 179.41 2i8l s ALA 29 N -4.29 -1.96 1.06 0.00 0.00 -0.43 -5.10 121.76 111.04 2i8l s ALA 29 Ca -0.08 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 2i8l s ALA 29 Cb 0.12 -2.47 0.14 0.00 0.00 0.00 0.00 23.12 20.92 2i8l s ALA 29 CO 0.82 -1.98 0.55 -2.30 0.00 0.00 0.00 175.76 172.85 2i8l n PRO 30 N 4.96 -1.33 -4.35 0.00 -0.02 -0.74 -4.27 135.00 129.25 2i8l n PRO 30 Ca 0.07 -0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.02 2i8l n PRO 30 Cb 0.53 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2i8l n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2i8l s LYS 31 N -3.93 1.49 0.00 -0.52 -0.14 -1.26 -5.04 119.74 110.35 2i8l s LYS 31 Ca 0.61 -1.82 0.00 0.00 -1.36 0.00 0.00 55.97 53.40 2i8l s LYS 31 Cb -0.19 -0.36 0.00 0.00 -1.68 0.00 0.00 37.83 35.59 2i8l s LYS 31 CO 0.65 -0.30 0.00 0.41 -0.76 0.00 0.00 175.35 175.35 2i8l n GLY 32 N -0.53 1.98 2.60 -3.33 0.00 -1.26 -3.13 105.19 101.52 2i8l n GLY 32 Ca -0.00 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.27 2i8l n GLY 32 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i8l n ASN 33 N 1.64 1.44 -4.78 1.61 5.15 -1.26 -5.05 115.26 114.01 2i8l n ASN 33 Ca 0.00 -2.02 -0.31 0.00 -0.60 0.00 0.00 54.58 51.65 2i8l n ASN 33 Cb 0.00 -0.44 0.09 0.00 -0.53 0.00 0.00 39.78 38.90 2i8l n ASN 33 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2i8l s TRP 34 N -3.09 2.71 -0.40 1.20 0.52 -1.18 -4.62 118.94 114.07 2i8l s TRP 34 Ca 0.28 1.45 -0.01 0.00 0.02 0.00 0.00 56.10 57.85 2i8l s TRP 34 Cb 0.33 -3.02 0.11 0.00 -1.15 0.00 0.00 33.47 29.74 2i8l s TRP 34 CO -0.06 -1.71 0.18 0.08 0.02 0.00 0.00 176.95 175.45 2i8l s VAL 35 N -2.96 3.02 0.29 4.03 1.01 -0.30 -4.98 120.40 120.50 2i8l s VAL 35 Ca 0.61 -2.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 2i8l s VAL 35 Cb -0.16 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 2i8l s VAL 35 CO 0.56 -0.68 1.30 -0.69 0.00 0.00 0.00 175.10 175.58 2i8l s VAL 36 N 0.98 2.90 0.00 2.92 1.01 -1.26 -1.83 120.40 125.12 2i8l s VAL 36 Ca 0.10 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.94 2i8l s VAL 36 Cb -0.22 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2i8l s VAL 36 CO -0.05 0.18 -0.05 -0.63 0.00 0.00 0.00 175.10 174.55 2i8l s ILE 37 N -0.76 0.40 -0.29 2.22 1.01 -0.09 -4.89 121.20 118.80 2i8l s ILE 37 Ca 0.51 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.86 2i8l s ILE 37 Cb -0.38 -0.36 0.08 0.00 0.01 0.00 0.00 42.46 41.81 2i8l s ILE 37 CO 0.47 0.05 0.02 -0.62 0.00 0.00 0.00 174.94 174.86 2i8l s ASP 38 N -0.28 4.18 0.00 3.58 2.15 -1.26 -0.90 116.67 124.13 2i8l s ASP 38 Ca 0.00 -1.59 0.27 0.00 0.43 0.00 0.00 52.55 51.66 2i8l s ASP 38 Cb -0.03 -1.23 1.41 0.00 -0.30 0.00 0.00 42.92 42.77 2i8l s ASP 38 CO -0.00 -0.33 1.91 0.61 -0.17 0.00 0.00 175.17 177.20 2i8l n GLY 39 N 4.59 -1.06 7.00 2.66 0.00 -0.03 -4.98 105.19 113.37 2i8l n GLY 39 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2i8l n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i8l n GLY 40 N 0.87 1.94 0.84 -0.02 0.00 -1.26 -2.01 105.19 105.55 2i8l n GLY 40 Ca 0.15 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.80 2i8l n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i8l n SER 41 N -1.13 2.44 -3.07 1.61 3.41 -0.92 -0.92 113.62 115.03 2i8l n SER 41 Ca 0.00 -2.05 -0.19 0.00 -0.26 0.00 0.00 58.87 56.37 2i8l n SER 41 Cb 0.00 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 2i8l n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i8l n ALA 42 N 0.72 2.65 0.39 7.33 0.00 -0.85 -4.93 120.51 125.80 2i8l n ALA 42 Ca 0.14 -3.59 0.13 0.00 0.00 0.00 0.00 53.44 50.13 2i8l n ALA 42 Cb 0.40 -0.89 0.52 0.00 0.00 0.00 0.00 19.45 19.48 2i8l n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2i8l h PRO 43 N 2.99 0.00 -0.53 0.00 0.13 -1.73 -2.78 132.00 130.07 2i8l h PRO 43 Ca 0.09 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.33 2i8l h PRO 43 Cb 0.92 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 2i8l h PRO 43 CO 0.56 0.00 0.37 1.05 -0.23 0.00 0.00 178.00 179.74 2i8l h GLU 44 N 0.00 0.22 0.00 0.86 4.11 -1.94 -0.71 114.58 117.12 2i8l h GLU 44 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2i8l h GLU 44 Cb 0.40 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2i8l h GLU 44 CO 0.00 0.14 -0.01 -2.95 0.07 0.00 0.00 179.01 176.27 2i8l h ASN 45 N 0.23 0.00 0.04 3.06 7.08 -1.86 -2.82 115.58 121.31 2i8l h ASN 45 Ca 0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 2i8l h ASN 45 Cb 0.69 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.93 2i8l h ASN 45 CO -0.05 0.01 -0.27 0.47 -2.08 0.00 0.00 177.43 175.51 2i8l n ASP 46 N -4.33 1.93 -0.31 6.14 8.00 -0.28 -4.11 116.55 123.60 2i8l n ASP 46 Ca -0.03 -1.46 0.05 0.00 0.71 0.00 0.00 54.79 54.05 2i8l n ASP 46 Cb 0.09 0.24 0.19 0.00 -0.02 0.00 0.00 41.12 41.63 2i8l n ASP 46 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2i8l h ILE 47 N 2.60 0.89 -0.74 0.53 2.04 -1.48 -0.89 117.51 120.46 2i8l h ILE 47 Ca 0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2i8l h ILE 47 Cb 0.72 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2i8l h ILE 47 CO 0.00 0.15 0.40 0.58 0.00 0.00 0.00 178.15 179.28 2i8l h VAL 48 N 0.83 1.23 -0.34 1.67 2.07 -1.79 -0.39 116.25 119.53 2i8l h VAL 48 Ca 0.43 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2i8l h VAL 48 Cb 0.43 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2i8l h VAL 48 CO -0.26 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.63 2i8l h ALA 49 N 1.20 0.46 -0.33 1.67 0.00 -1.46 -2.24 119.26 118.56 2i8l h ALA 49 Ca 0.26 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2i8l h ALA 49 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2i8l h ALA 49 CO -0.04 0.17 0.11 0.82 0.00 0.00 0.00 179.25 180.31 2i8l h ILE 50 N 0.40 0.90 -0.45 0.00 2.04 -1.04 -2.98 117.51 116.38 2i8l h ILE 50 Ca 0.10 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2i8l h ILE 50 Cb 0.37 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2i8l h ILE 50 CO 0.01 0.05 0.27 0.03 0.00 0.00 0.00 178.15 178.50 2i8l h ARG 51 N 0.25 0.61 -0.32 2.37 3.08 -0.59 -1.17 114.38 118.61 2i8l h ARG 51 Ca 0.15 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.21 2i8l h ARG 51 Cb 0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2i8l h ARG 51 CO -0.16 0.43 0.22 0.93 -1.07 0.00 0.00 179.97 180.33 2i8l h GLU 52 N 0.62 0.15 0.00 0.04 4.39 -1.25 -2.24 114.58 116.29 2i8l h GLU 52 Ca 0.16 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2i8l h GLU 52 Cb -0.02 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2i8l h GLU 52 CO -0.03 0.10 -0.38 1.28 -1.16 0.00 0.00 179.01 178.82 2i8l n LEU 53 N -4.47 0.50 -3.92 1.33 4.77 -0.45 -4.98 117.00 109.78 2i8l n LEU 53 Ca 0.04 0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 56.01 2i8l n LEU 53 Cb 0.28 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2i8l n LEU 53 CO 0.35 0.00 -0.09 0.54 -1.33 0.00 0.00 177.39 176.86 2i8l n ARG 54 N -1.79 -0.60 -1.21 3.23 1.74 -0.84 -4.82 116.66 112.36 2i8l n ARG 54 Ca 0.05 -0.22 -0.35 0.00 -0.77 0.00 0.00 57.85 56.56 2i8l n ARG 54 Cb 0.38 -0.83 0.10 0.00 -1.02 0.00 0.00 32.46 31.09 2i8l n ARG 54 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2i8l n PRO 55 N -3.12 0.30 0.04 5.56 -0.02 -1.26 -4.92 135.00 131.58 2i8l n PRO 55 Ca -0.06 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 2i8l n PRO 55 Cb 0.30 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2i8l n PRO 55 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2i8l h THR 56 N -0.61 1.35 -3.98 3.45 2.02 -1.09 -3.28 112.91 110.77 2i8l h THR 56 Ca -0.46 -2.24 -0.10 0.00 0.77 0.00 0.00 66.41 64.38 2i8l h THR 56 Cb 1.32 2.25 -0.15 0.00 -1.74 0.00 0.00 68.15 69.83 2i8l h THR 56 CO 0.45 0.68 -0.50 -0.13 0.37 0.00 0.00 175.52 176.39 2i8l s ARG 57 N -3.46 0.74 -0.08 6.66 0.52 -1.12 -1.80 118.95 120.40 2i8l s ARG 57 Ca -0.07 -1.05 -0.10 0.00 -0.52 0.00 0.00 55.73 53.99 2i8l s ARG 57 Cb 0.09 0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.86 2i8l s ARG 57 CO 0.88 -0.20 0.26 -1.17 0.02 0.00 0.00 175.30 175.09 2i8l s LEU 58 N -2.84 1.02 -0.08 2.53 2.96 -0.25 -2.42 118.68 119.60 2i8l s LEU 58 Ca 0.05 0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 54.39 2i8l s LEU 58 Cb 0.06 0.93 0.02 0.00 0.50 0.00 0.00 46.19 47.70 2i8l s LEU 58 CO -0.10 -0.15 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.51 2i8l s LEU 59 N -0.13 1.09 -0.02 -0.68 0.20 -0.82 -1.32 118.68 117.01 2i8l s LEU 59 Ca -0.03 -0.19 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 2i8l s LEU 59 Cb -0.03 -0.62 -0.04 0.00 -0.43 0.00 0.00 46.19 45.07 2i8l s LEU 59 CO 0.01 -0.11 0.22 -0.63 -0.29 0.00 0.00 176.35 175.55 2i8l s ILE 60 N 1.47 5.38 -0.02 6.68 -1.09 0.22 -0.90 121.20 132.93 2i8l s ILE 60 Ca -0.01 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.47 2i8l s ILE 60 Cb -0.13 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2i8l s ILE 60 CO -0.04 0.39 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.36 2i8l s VAL 61 N -1.26 0.21 0.30 2.92 1.01 -0.67 -0.96 120.40 121.95 2i8l s VAL 61 Ca 0.25 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 2i8l s VAL 61 Cb -0.13 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.02 2i8l s VAL 61 CO 0.15 0.13 0.78 -0.62 0.00 0.00 0.00 175.10 175.53 2i8l s ASP 62 N 0.68 -0.15 0.72 3.32 2.15 -1.20 -1.24 116.67 120.95 2i8l s ASP 62 Ca -0.07 -0.79 -0.13 0.00 0.43 0.00 0.00 52.55 52.00 2i8l s ASP 62 Cb -0.10 0.74 0.03 0.00 -0.30 0.00 0.00 42.92 43.30 2i8l s ASP 62 CO -0.01 -1.42 1.11 0.00 -0.17 0.00 0.00 175.17 174.68 2i8l s ALA 63 N -3.22 2.32 -0.24 3.66 0.00 -1.26 -2.92 121.76 120.10 2i8l s ALA 63 Ca 0.13 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 2i8l s ALA 63 Cb -0.05 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.84 2i8l s ALA 63 CO 0.08 -1.57 0.56 0.99 0.00 0.00 0.00 175.76 175.81 2i8l s THR 64 N -2.58 -0.25 -0.02 0.00 2.01 0.41 -4.65 115.64 110.56 2i8l s THR 64 Ca 0.65 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 2i8l s THR 64 Cb -0.19 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2i8l s THR 64 CO 0.49 0.02 1.37 -0.62 -0.69 0.00 0.00 174.62 175.19 2i8l s ASP 65 N 1.88 6.88 0.00 3.53 2.15 -1.26 -3.42 116.67 126.43 2i8l s ASP 65 Ca -0.08 2.04 0.00 0.00 0.43 0.00 0.00 52.55 54.94 2i8l s ASP 65 Cb -0.08 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2i8l s ASP 65 CO -0.17 -0.71 0.49 0.23 -0.17 0.00 0.00 175.17 174.84 2i8l n MET 66 N 5.52 -0.61 -2.84 4.34 2.81 -1.26 -4.84 117.12 120.25 2i8l n MET 66 Ca 0.13 -0.52 -0.20 0.00 -1.81 0.00 0.00 57.70 55.30 2i8l n MET 66 Cb 0.44 -0.95 0.03 0.00 -0.71 0.00 0.00 33.22 32.03 2i8l n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i8l n GLY 67 N -0.04 -0.41 2.61 3.03 0.00 -1.26 -4.57 105.19 104.56 2i8l n GLY 67 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2i8l n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i8l n LEU 68 N -3.49 0.00 -4.77 0.99 4.77 -1.26 -1.96 117.00 111.28 2i8l n LEU 68 Ca -0.13 -1.96 -0.40 0.00 -0.03 0.00 0.00 56.01 53.50 2i8l n LEU 68 Cb 0.62 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2i8l n LEU 68 CO 0.40 -0.49 0.88 0.21 -1.33 0.00 0.00 177.39 177.06 2i8l s ASN 69 N -3.22 6.86 0.19 -1.43 2.47 -1.26 -4.91 114.94 113.63 2i8l s ASN 69 Ca 0.22 2.45 -0.30 0.00 0.42 0.00 0.00 52.86 55.65 2i8l s ASN 69 Cb -0.02 -2.63 -0.17 0.00 -1.45 0.00 0.00 41.25 36.98 2i8l s ASN 69 CO 0.14 -0.45 0.76 -2.65 -3.72 0.00 0.00 177.10 171.18 2i8l n PRO 70 N 0.70 0.41 -0.92 0.43 -0.02 -1.26 -2.09 135.00 132.25 2i8l n PRO 70 Ca 0.01 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2i8l n PRO 70 Cb 0.44 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2i8l n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i8l n GLY 71 N 1.79 0.65 3.76 -1.23 0.00 -0.31 -4.85 105.19 104.99 2i8l n GLY 71 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2i8l n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i8l s GLU 72 N -0.30 3.24 -0.05 1.61 0.41 -0.89 -4.58 118.70 118.13 2i8l s GLU 72 Ca 0.00 1.85 0.05 0.00 -0.41 0.00 0.00 54.97 56.45 2i8l s GLU 72 Cb 0.00 -2.10 -0.00 0.00 -1.78 0.00 0.00 34.13 30.24 2i8l s GLU 72 CO 0.00 -1.00 -0.19 0.42 -0.49 0.00 0.00 175.26 174.00 2i8l s ILE 73 N -1.56 1.59 0.02 -1.63 1.01 -1.26 -0.87 121.20 118.50 2i8l s ILE 73 Ca 0.73 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 2i8l s ILE 73 Cb -0.31 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 2i8l s ILE 73 CO 0.35 0.45 0.08 -0.13 0.00 0.00 0.00 174.94 175.69 2i8l s ARG 74 N 0.06 0.46 0.35 2.79 1.81 -0.67 -4.55 118.95 119.21 2i8l s ARG 74 Ca -0.06 -0.54 -0.25 0.00 -1.72 0.00 0.00 55.73 53.16 2i8l s ARG 74 Cb -0.13 0.18 -0.10 0.00 -0.45 0.00 0.00 34.95 34.46 2i8l s ARG 74 CO 0.03 -0.10 0.97 0.42 -0.68 0.00 0.00 175.30 175.93 2i8l s ILE 75 N -1.68 4.15 0.18 1.52 -1.09 0.18 -0.90 121.20 123.56 2i8l s ILE 75 Ca -0.13 1.68 0.03 0.00 -2.23 0.00 0.00 60.65 60.00 2i8l s ILE 75 Cb -0.07 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 2i8l s ILE 75 CO -0.00 0.04 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.09 2i8l s ILE 76 N -1.71 0.93 0.03 2.92 1.01 0.01 -0.58 121.20 123.80 2i8l s ILE 76 Ca 0.53 -2.02 0.03 0.00 0.00 0.00 0.00 60.65 59.20 2i8l s ILE 76 Cb -0.18 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 2i8l s ILE 76 CO 0.23 -0.52 -0.10 -0.62 0.00 0.00 0.00 174.94 173.93 2i8l s ASP 77 N -3.21 1.18 0.57 3.58 -1.08 -1.26 -3.09 116.67 113.36 2i8l s ASP 77 Ca 0.23 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 52.16 2i8l s ASP 77 Cb 0.05 -0.07 1.52 0.00 -1.46 0.00 0.00 42.92 42.96 2i8l s ASP 77 CO 0.04 -0.01 2.01 1.55 0.52 0.00 0.00 175.17 179.28 2i8l h PRO 78 N 5.16 0.00 0.00 4.34 0.13 -1.95 0.58 132.00 140.26 2i8l h PRO 78 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2i8l h PRO 78 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2i8l h PRO 78 CO 0.45 0.00 -0.02 0.22 -0.23 0.00 0.00 178.00 178.42 2i8l h ASP 79 N 0.00 0.00 0.00 1.44 3.58 -1.98 -3.25 116.42 116.21 2i8l h ASP 79 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2i8l h ASP 79 Cb 0.85 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 2i8l h ASP 79 CO -0.00 0.02 -1.05 -0.67 -2.88 0.00 0.00 179.24 174.66 2i8l n ASP 80 N -3.15 4.72 -0.34 2.28 2.03 0.03 -4.54 116.55 117.58 2i8l n ASP 80 Ca -0.01 -0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.43 2i8l n ASP 80 Cb 0.23 0.46 0.31 0.00 -0.72 0.00 0.00 41.12 41.41 2i8l n ASP 80 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2i8l h ILE 81 N 0.00 0.67 -0.28 5.18 2.04 -1.21 0.02 117.51 123.94 2i8l h ILE 81 Ca -0.02 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.68 2i8l h ILE 81 Cb 1.05 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2i8l h ILE 81 CO 0.00 0.13 0.31 0.00 0.00 0.00 0.00 178.15 178.59 2i8l h ALA 82 N 1.65 1.93 0.00 1.87 0.00 -1.79 -0.06 119.26 122.86 2i8l h ALA 82 Ca 0.57 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.31 2i8l h ALA 82 Cb 0.92 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2i8l h ALA 82 CO -0.40 -0.45 -1.62 -1.91 0.00 0.00 0.00 179.25 174.86 2i8l n GLU 83 N -3.75 1.27 0.19 0.00 2.13 -0.75 -4.56 120.64 115.18 2i8l n GLU 83 Ca 0.04 0.03 0.03 0.00 0.66 0.00 0.00 57.16 57.93 2i8l n GLU 83 Cb 0.45 -1.22 0.38 0.00 0.27 0.00 0.00 31.44 31.32 2i8l n GLU 83 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 2i8l h MET 84 N 0.00 0.00 -0.19 5.31 2.86 -0.64 -2.88 114.93 119.39 2i8l h MET 84 Ca -0.25 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.25 2i8l h MET 84 Cb 1.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.12 2i8l h MET 84 CO -0.02 0.34 -0.44 0.74 1.06 0.00 0.00 176.91 178.60 2i8l h PHE 85 N 0.00 0.82 0.00 -0.22 -1.00 -1.26 -3.09 116.94 112.19 2i8l h PHE 85 Ca -0.00 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.47 2i8l h PHE 85 Cb 0.62 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.03 2i8l h PHE 85 CO 0.00 1.07 0.00 0.00 -1.61 0.00 0.00 178.31 177.77 2i8l n MET 86 N -4.21 0.03 0.18 1.51 0.00 -1.09 -1.30 117.12 112.24 2i8l n MET 86 Ca -0.06 0.30 0.13 0.00 0.00 0.00 0.00 57.70 58.08 2i8l n MET 86 Cb 0.56 -1.50 0.70 0.00 0.00 0.00 0.00 33.22 32.98 2i8l n MET 86 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2i8l h MET 87 N 0.00 0.00 -2.12 3.17 2.86 -1.49 -0.17 114.93 117.19 2i8l h MET 87 Ca 0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 2i8l h MET 87 Cb 0.15 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 2i8l h MET 87 CO 0.00 0.00 0.11 0.25 1.06 0.00 0.00 176.91 178.33 2i8l n THR 88 N -4.33 3.14 -3.15 2.22 -2.24 -0.42 -4.67 114.28 104.83 2i8l n THR 88 Ca 0.01 -1.62 -0.05 0.00 -2.27 0.00 0.00 64.05 60.12 2i8l n THR 88 Cb 0.27 -2.07 0.01 0.00 -2.10 0.00 0.00 70.33 66.44 2i8l n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2i8l n THR 89 N 2.63 -9.50 -3.02 4.28 -1.04 -1.16 -3.58 114.28 102.89 2i8l n THR 89 Ca 0.47 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 2i8l n THR 89 Cb 0.84 -6.56 0.02 0.00 -1.82 0.00 0.00 70.33 62.80 2i8l n THR 89 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2i8l n HIS 90 N -2.15 -1.84 -0.80 -1.42 -0.00 -0.09 -4.97 115.22 103.95 2i8l n HIS 90 Ca -0.03 0.45 -0.31 0.00 -0.00 0.00 0.00 57.72 57.83 2i8l n HIS 90 Cb 0.54 -4.07 0.16 0.00 -0.00 0.00 0.00 29.99 26.61 2i8l n HIS 90 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2i8l s ASN 91 N -2.63 3.13 0.35 0.26 3.84 -1.23 -4.94 114.94 113.71 2i8l s ASN 91 Ca 0.29 2.19 -0.29 0.00 0.21 0.00 0.00 52.86 55.26 2i8l s ASN 91 Cb -0.13 -2.57 -0.11 0.00 -0.55 0.00 0.00 41.25 37.89 2i8l s ASN 91 CO 0.36 -2.97 1.49 0.00 -2.79 0.00 0.00 177.10 173.19 2i8l s MET 92 N -4.60 4.14 -1.39 0.43 0.23 -1.26 -3.95 119.30 112.89 2i8l s MET 92 Ca 0.67 2.54 -0.15 0.00 -1.03 0.00 0.00 55.69 57.71 2i8l s MET 92 Cb -0.23 -2.99 0.04 0.00 -1.53 0.00 0.00 34.83 30.12 2i8l s MET 92 CO 0.57 -0.52 2.08 -0.35 -2.03 0.00 0.00 175.02 174.77 2i8l n PRO 93 N 0.86 2.89 0.11 3.16 -0.04 -1.26 -4.62 135.00 136.10 2i8l n PRO 93 Ca 0.02 -2.76 0.02 0.00 -0.04 0.00 0.00 63.50 60.75 2i8l n PRO 93 Cb 0.39 -3.34 0.13 0.00 -0.04 0.00 0.00 33.50 30.64 2i8l n PRO 93 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2i8l n LEU 94 N 6.87 0.12 0.25 1.53 4.77 -1.26 -2.04 117.00 127.24 2i8l n LEU 94 Ca 0.51 0.33 0.17 0.00 -0.03 0.00 0.00 56.01 56.98 2i8l n LEU 94 Cb 0.41 -0.23 0.77 0.00 -2.33 0.00 0.00 43.42 42.04 2i8l n LEU 94 CO 0.87 -0.37 1.14 -0.55 -1.33 0.00 0.00 177.39 177.15 2i8l h ASN 95 N 0.00 0.00 -0.48 -1.43 7.08 -1.87 -1.92 115.58 116.96 2i8l h ASN 95 Ca 0.00 0.00 0.09 0.00 -3.08 0.00 0.00 56.30 53.31 2i8l h ASN 95 Cb 0.91 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.12 2i8l h ASN 95 CO 0.00 0.00 0.33 0.10 -2.08 0.00 0.00 177.43 175.78 2i8l h TYR 96 N 0.00 0.28 -0.10 4.14 -0.00 -1.80 -0.88 116.97 118.61 2i8l h TYR 96 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 58.73 58.68 2i8l h TYR 96 Cb 0.85 -0.09 0.01 0.00 0.00 0.00 0.00 36.73 37.49 2i8l h TYR 96 CO 0.00 0.14 -0.43 1.25 -0.00 0.00 0.00 178.16 179.12 2i8l h LEU 97 N 0.27 0.55 -0.46 0.10 6.46 -1.64 -3.15 115.31 117.44 2i8l h LEU 97 Ca 0.22 -0.64 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2i8l h LEU 97 Cb 0.51 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 2i8l h LEU 97 CO -0.05 1.09 0.29 0.40 -0.62 0.00 0.00 178.44 179.56 2i8l h ILE 98 N 0.03 1.13 0.00 4.05 2.04 -1.52 -2.55 117.51 120.69 2i8l h ILE 98 Ca -0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2i8l h ILE 98 Cb 1.07 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2i8l h ILE 98 CO 0.09 0.12 -0.03 -0.78 0.00 0.00 0.00 178.15 177.56 2i8l h ASP 99 N 0.61 0.00 -0.06 1.72 3.58 -1.21 0.16 116.42 121.22 2i8l h ASP 99 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2i8l h ASP 99 Cb -0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2i8l h ASP 99 CO -0.03 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.35 2i8l n GLN 100 N -3.23 1.57 0.00 0.28 6.02 -0.96 -4.40 117.38 116.65 2i8l n GLN 100 Ca -0.02 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 2i8l n GLN 100 Cb 0.18 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2i8l n GLN 100 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2i8l n LEU 101 N 0.03 0.22 0.33 1.08 4.77 -0.31 -4.80 117.00 118.32 2i8l n LEU 101 Ca 0.18 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.38 2i8l n LEU 101 Cb 0.30 0.00 1.18 0.00 -2.33 0.00 0.00 43.42 42.58 2i8l n LEU 101 CO 0.15 0.04 1.18 0.07 -1.33 0.00 0.00 177.39 177.50 2i8l h LYS 102 N 0.00 0.00 0.00 3.23 2.10 -0.96 -0.85 116.57 120.09 2i8l h LYS 102 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2i8l h LYS 102 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2i8l h LYS 102 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 2i8l h GLU 103 N 0.00 0.00 0.00 0.07 4.39 -1.82 -3.37 114.58 113.86 2i8l h GLU 103 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2i8l h GLU 103 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2i8l h GLU 103 CO -0.00 0.00 -0.17 -3.47 -1.16 0.00 0.00 179.01 174.21 2i8l n ASP 104 N -2.64 0.85 -4.77 1.42 2.03 -0.78 -5.06 116.55 107.60 2i8l n ASP 104 Ca 0.01 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.92 2i8l n ASP 104 Cb 0.23 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 2i8l n ASP 104 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2i8l s ILE 105 N -1.17 3.01 0.18 5.18 1.01 -0.39 -4.91 121.20 124.11 2i8l s ILE 105 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 60.65 61.52 2i8l s ILE 105 Cb 0.00 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.95 2i8l s ILE 105 CO 0.00 0.21 1.76 1.23 0.00 0.00 0.00 174.94 178.14 2i8l h GLY 106 N 3.33 0.98 -5.11 6.18 0.00 -1.41 -3.44 103.07 103.60 2i8l h GLY 106 Ca -0.48 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.21 2i8l h GLY 106 CO 0.65 0.47 -0.31 1.85 0.00 0.00 0.00 176.54 179.21 2i8l s GLU 107 N -5.67 0.46 -0.08 4.80 2.56 -1.04 -5.00 118.70 114.73 2i8l s GLU 107 Ca -0.13 0.32 -0.01 0.00 0.00 0.00 0.00 54.97 55.16 2i8l s GLU 107 Cb 0.13 0.22 0.03 0.00 2.00 0.00 0.00 34.13 36.51 2i8l s GLU 107 CO 0.79 -0.08 -0.02 0.08 -0.56 0.00 0.00 175.26 175.47 2i8l s VAL 108 N -0.16 0.54 0.13 3.70 1.01 -1.26 -1.10 120.40 123.26 2i8l s VAL 108 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2i8l s VAL 108 Cb -0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2i8l s VAL 108 CO 0.01 0.28 -0.16 -0.63 0.00 0.00 0.00 175.10 174.61 2i8l s ILE 109 N 1.77 1.49 0.05 2.22 1.01 -0.43 -4.92 121.20 122.38 2i8l s ILE 109 Ca 0.03 -1.76 0.07 0.00 0.00 0.00 0.00 60.65 58.99 2i8l s ILE 109 Cb -0.13 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2i8l s ILE 109 CO -0.05 -0.36 -0.20 0.12 0.00 0.00 0.00 174.94 174.44 2i8l s PHE 110 N -2.04 1.77 -0.09 3.97 2.19 -1.18 -0.61 117.98 121.99 2i8l s PHE 110 Ca 0.10 -0.37 0.02 0.00 0.33 0.00 0.00 56.93 57.01 2i8l s PHE 110 Cb -0.05 -1.05 0.01 0.00 -1.31 0.00 0.00 43.02 40.62 2i8l s PHE 110 CO 0.04 0.09 -0.16 -1.17 1.83 0.00 0.00 175.22 175.85 2i8l s LEU 111 N -1.20 1.79 0.19 6.12 0.20 -0.13 -0.81 118.68 124.83 2i8l s LEU 111 Ca 0.07 -0.42 0.09 0.00 0.69 0.00 0.00 54.13 54.56 2i8l s LEU 111 Cb -0.09 -1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 2i8l s LEU 111 CO 0.02 0.06 -0.06 -0.83 -0.29 0.00 0.00 176.35 175.25 2i8l s GLY 112 N 0.73 1.72 -0.07 7.98 0.00 -0.07 -3.23 107.32 114.37 2i8l s GLY 112 Ca -0.12 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.13 2i8l s GLY 112 CO 0.03 -1.51 -0.07 -0.42 0.00 0.00 0.00 173.10 171.13 2i8l s ILE 113 N -1.82 0.78 -0.11 0.90 1.01 -1.15 -1.66 121.20 119.15 2i8l s ILE 113 Ca 0.27 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 2i8l s ILE 113 Cb -0.08 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.54 2i8l s ILE 113 CO 0.17 0.29 2.04 -1.58 0.00 0.00 0.00 174.94 175.86 2i8l s GLN 114 N 1.10 3.64 0.89 2.79 2.00 -0.05 -0.44 119.66 129.59 2i8l s GLN 114 Ca -0.07 2.23 -0.12 0.00 -2.00 0.00 0.00 55.36 55.39 2i8l s GLN 114 Cb -0.14 -4.24 0.13 0.00 0.80 0.00 0.00 33.01 29.55 2i8l s GLN 114 CO -0.01 -1.52 1.15 -1.25 -0.50 0.00 0.00 175.29 173.16 2i8l s PRO 115 N 5.35 1.31 0.00 1.67 0.04 -1.26 -1.16 135.00 140.95 2i8l s PRO 115 Ca 0.92 0.22 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2i8l s PRO 115 Cb -0.36 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2i8l s PRO 115 CO 0.37 -2.07 0.00 -3.47 0.04 0.00 0.00 177.00 171.87 2i8l n ASP 116 N -3.66 2.39 -3.93 6.66 2.03 -1.26 -4.68 116.55 114.09 2i8l n ASP 116 Ca 0.07 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.21 2i8l n ASP 116 Cb 0.60 0.20 -0.15 0.00 -0.72 0.00 0.00 41.12 41.04 2i8l n ASP 116 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2i8l s ILE 117 N -1.50 0.45 -0.03 5.18 -5.25 -1.26 -5.09 121.20 113.70 2i8l s ILE 117 Ca 0.00 -0.18 -0.02 0.00 -0.99 0.00 0.00 60.65 59.47 2i8l s ILE 117 Cb 0.00 -0.43 0.02 0.00 2.95 0.00 0.00 42.46 45.00 2i8l s ILE 117 CO 0.00 0.16 0.07 -0.69 -1.79 0.00 0.00 174.94 172.69 2i8l s VAL 118 N 0.28 -0.03 0.00 8.37 1.01 -1.26 -1.17 120.40 127.59 2i8l s VAL 118 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2i8l s VAL 118 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2i8l s VAL 118 CO -0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2i8l n GLY 119 N 3.64 3.67 3.76 4.51 0.00 -0.83 -4.94 105.19 115.00 2i8l n GLY 119 Ca -0.20 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2i8l n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2i8l s PHE 120 N -1.90 2.50 -1.62 1.61 -0.12 -1.26 -2.55 117.98 114.64 2i8l s PHE 120 Ca 0.00 1.57 -0.15 0.00 -0.05 0.00 0.00 56.93 58.30 2i8l s PHE 120 Cb 0.00 -3.15 0.12 0.00 -0.63 0.00 0.00 43.02 39.36 2i8l s PHE 120 CO 0.00 -1.87 0.80 0.98 -0.05 0.00 0.00 175.22 175.08 2i8l n TYR 121 N -3.05 -1.90 -4.43 3.49 9.36 0.34 -4.92 117.16 116.06 2i8l n TYR 121 Ca 0.10 0.83 -0.26 0.00 3.32 0.00 0.00 57.90 61.89 2i8l n TYR 121 Cb 0.52 -3.35 -0.13 0.00 -0.63 0.00 0.00 39.34 35.75 2i8l n TYR 121 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 2i8l s TYR 122 N -3.37 1.92 0.61 2.98 2.02 -0.44 -5.00 117.35 116.07 2i8l s TYR 122 Ca 0.63 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.83 2i8l s TYR 122 Cb -0.33 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 2i8l s TYR 122 CO 0.89 0.20 1.00 -1.25 -1.57 0.00 0.00 175.55 174.82 2i8l s PRO 123 N -1.71 3.45 0.27 -1.71 0.04 -1.26 -1.62 135.00 132.46 2i8l s PRO 123 Ca 0.08 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 2i8l s PRO 123 Cb -0.10 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2i8l s PRO 123 CO 0.04 -0.59 1.24 1.41 0.04 0.00 0.00 177.00 179.14 2i8l s MET 124 N -5.13 4.45 0.63 4.56 -2.45 -1.24 -4.16 119.30 115.96 2i8l s MET 124 Ca 0.54 2.04 -0.12 0.00 -1.25 0.00 0.00 55.69 56.90 2i8l s MET 124 Cb -0.11 -3.15 -0.03 0.00 1.25 0.00 0.00 34.83 32.80 2i8l s MET 124 CO 0.52 -0.09 1.04 0.95 1.05 0.00 0.00 175.02 178.49 2i8l s THR 125 N -0.75 4.42 0.23 10.11 -4.23 -1.26 -4.85 115.64 119.31 2i8l s THR 125 Ca 0.50 0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 61.80 2i8l s THR 125 Cb -0.36 -3.67 0.19 0.00 1.34 0.00 0.00 72.50 70.00 2i8l s THR 125 CO 0.45 -0.96 1.75 -0.61 -0.54 0.00 0.00 174.62 174.70 2i8l h GLN 126 N -0.25 0.47 -0.09 3.99 5.75 -1.98 -0.82 115.11 122.19 2i8l h GLN 126 Ca -0.44 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 57.93 2i8l h GLN 126 Cb 1.20 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 2i8l h GLN 126 CO 0.60 0.31 -0.38 -1.00 -2.65 0.00 0.00 178.83 175.72 2i8l h PRO 127 N 0.49 0.19 0.10 -2.39 0.13 -1.94 -0.54 132.00 128.03 2i8l h PRO 127 Ca 0.38 -0.08 -0.26 0.00 -0.87 0.00 0.00 66.00 65.17 2i8l h PRO 127 Cb 0.51 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2i8l h PRO 127 CO -0.35 0.54 -1.19 0.82 -0.23 0.00 0.00 178.00 177.60 2i8l h ILE 128 N 0.16 1.55 -0.44 -3.56 5.03 -1.78 -1.16 117.51 117.30 2i8l h ILE 128 Ca 0.02 -3.13 0.05 0.00 -0.12 0.00 0.00 64.86 61.67 2i8l h ILE 128 Cb 0.74 2.92 -0.04 0.00 -3.03 0.00 0.00 36.82 37.41 2i8l h ILE 128 CO 0.06 0.91 0.19 0.11 -0.68 0.00 0.00 178.15 178.74 2i8l h LYS 129 N 0.06 0.38 -0.55 2.37 1.57 -0.91 0.55 116.57 120.05 2i8l h LYS 129 Ca -0.11 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2i8l h LYS 129 Cb 1.92 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 34.12 2i8l h LYS 129 CO 0.19 0.25 0.14 0.22 -0.57 0.00 0.00 179.45 179.68 2i8l h ASP 130 N 0.39 0.78 -0.05 0.86 3.58 -1.03 -0.68 116.42 120.26 2i8l h ASP 130 Ca 0.20 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2i8l h ASP 130 Cb 0.15 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 2i8l h ASP 130 CO -0.17 0.76 0.02 0.00 -2.88 0.00 0.00 179.24 176.97 2i8l h ALA 131 N 1.35 0.07 -0.77 -0.78 0.00 -0.61 -0.41 119.26 118.11 2i8l h ALA 131 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2i8l h ALA 131 Cb 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2i8l h ALA 131 CO -0.00 -0.34 0.42 0.28 0.00 0.00 0.00 179.25 179.61 2i8l h VAL 132 N -0.09 1.23 -0.61 0.00 2.07 -0.61 0.48 116.25 118.73 2i8l h VAL 132 Ca 0.02 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2i8l h VAL 132 Cb 0.18 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2i8l h VAL 132 CO -0.00 0.25 0.33 -0.08 0.02 0.00 0.00 177.57 178.10 2i8l h GLU 133 N 1.07 0.86 -0.52 1.57 4.57 -0.97 0.35 114.58 121.50 2i8l h GLU 133 Ca 0.27 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2i8l h GLU 133 Cb 0.03 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2i8l h GLU 133 CO -0.04 0.65 0.20 1.15 -1.18 0.00 0.00 179.01 179.79 2i8l h THR 134 N 0.83 1.22 -0.38 0.32 2.02 0.02 -0.61 112.91 116.34 2i8l h THR 134 Ca 0.22 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2i8l h THR 134 Cb 0.05 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2i8l h THR 134 CO -0.03 0.26 0.19 0.58 0.37 0.00 0.00 175.52 176.89 2i8l h VAL 135 N 0.71 1.16 -0.33 3.16 2.07 -0.73 -1.39 116.25 120.89 2i8l h VAL 135 Ca 0.17 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2i8l h VAL 135 Cb 0.21 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2i8l h VAL 135 CO -0.01 0.17 0.09 0.22 0.02 0.00 0.00 177.57 178.06 2i8l h TYR 136 N 0.48 0.16 0.00 1.57 3.20 -0.58 -1.43 116.97 120.37 2i8l h TYR 136 Ca 0.13 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2i8l h TYR 136 Cb 0.09 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2i8l h TYR 136 CO -0.02 0.06 -0.23 1.96 -1.64 0.00 0.00 178.16 178.29 2i8l h GLN 137 N 0.22 0.00 0.00 1.82 1.08 -0.92 -2.46 115.11 114.86 2i8l h GLN 137 Ca 0.15 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 2i8l h GLN 137 Cb 0.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2i8l h GLN 137 CO -0.18 0.23 -0.14 -0.09 -0.95 0.00 0.00 178.83 177.70 2i8l h ARG 138 N 0.00 0.00 0.00 1.46 9.65 -0.14 -3.33 114.38 122.02 2i8l h ARG 138 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2i8l h ARG 138 Cb 0.51 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2i8l h ARG 138 CO 0.03 0.14 -0.03 -0.07 2.80 0.00 0.00 179.97 182.84 2i8l h LEU 139 N 0.00 0.00 -0.20 3.80 3.38 -1.19 0.98 115.31 122.09 2i8l h LEU 139 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i8l h LEU 139 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2i8l h LEU 139 CO 0.02 0.03 -0.04 -1.84 0.09 0.00 0.00 178.44 176.70 2i8l n GLU 140 N -3.66 0.86 0.00 1.13 0.28 -1.25 -4.01 120.64 113.99 2i8l n GLU 140 Ca -0.03 -0.20 0.00 0.00 -0.16 0.00 0.00 57.16 56.77 2i8l n GLU 140 Cb 0.12 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2i8l n GLU 140 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2i8l n GLY 141 N 1.17 0.16 3.72 -1.84 0.00 -0.26 -4.79 105.19 103.36 2i8l n GLY 141 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2i8l n GLY 141 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2i8l n TRP 142 N -0.26 2.42 -1.80 1.61 -0.00 0.18 -4.82 117.44 114.77 2i8l n TRP 142 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 2i8l n TRP 142 Cb 0.00 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 28.88 2i8l n TRP 142 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2i8l n GLU 143 N 0.34 0.00 0.00 5.87 2.13 -1.26 -4.93 120.64 122.79 2i8l n GLU 143 Ca 0.04 -0.60 0.00 0.00 0.66 0.00 0.00 57.16 57.26 2i8l n GLU 143 Cb 0.38 -0.35 0.00 0.00 0.27 0.00 0.00 31.44 31.74 2i8l n GLU 143 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i8l n GLY 144 N 0.00 1.10 0.00 8.31 0.00 -1.26 -4.97 105.19 108.37 2i8l n GLY 144 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2i8l n GLY 144 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i8l n ASN 145 N 0.00 3.75 -2.08 1.61 4.13 -1.26 -5.02 115.26 116.38 2i8l n ASN 145 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 2i8l n ASN 145 Cb 0.00 0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 38.83 2i8l n ASN 145 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i8l n GLY 146 N 2.04 0.24 3.11 7.41 0.00 -1.26 -1.23 105.19 115.49 2i8l n GLY 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2i8l n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i8l n GLY 147 N -0.69 2.49 3.77 -0.02 0.00 -1.26 -4.94 105.19 104.54 2i8l n GLY 147 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2i8l n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i8l s PHE 148 N -3.05 2.82 0.59 1.61 0.08 -0.37 -5.03 117.98 114.63 2i8l s PHE 148 Ca 0.00 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 2i8l s PHE 148 Cb 0.00 -3.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 2i8l s PHE 148 CO 0.00 -1.52 1.04 0.00 -0.10 0.00 0.00 175.22 174.63 2i8l s ALA 149 N -1.61 2.84 -0.26 5.36 0.00 -1.26 -4.72 121.76 122.11 2i8l s ALA 149 Ca 0.66 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2i8l s ALA 149 Cb -0.27 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2i8l s ALA 149 CO 0.32 -0.71 0.28 -1.14 0.00 0.00 0.00 175.76 174.51 2i8l s GLN 150 N -4.29 4.03 0.07 0.00 -0.44 -1.26 -0.65 119.66 117.13 2i8l s GLN 150 Ca 0.61 -0.10 -0.32 0.00 -2.50 0.00 0.00 55.36 53.05 2i8l s GLN 150 Cb -0.14 -3.62 -0.11 0.00 -1.64 0.00 0.00 33.01 27.51 2i8l s GLN 150 CO 0.39 -0.15 1.84 -0.11 0.50 0.00 0.00 175.29 177.77 2i8l n LEU 151 N 4.92 3.84 -3.15 3.68 7.94 0.26 -4.89 117.00 129.59 2i8l n LEU 151 Ca -0.11 0.98 -0.19 0.00 -1.11 0.00 0.00 56.01 55.58 2i8l n LEU 151 Cb 0.51 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.94 2i8l n LEU 151 CO 0.36 0.08 -0.21 0.00 -1.11 0.00 0.00 177.39 176.52 2i8l n ALA 152 N 5.95 1.87 -3.88 1.96 0.00 -1.26 -4.89 120.51 120.26 2i8l n ALA 152 Ca 0.19 -3.24 -0.28 0.00 0.00 0.00 0.00 53.44 50.11 2i8l n ALA 152 Cb 0.35 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 18.90 2i8l n ALA 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i8l n VAL 153 N 0.62 -2.74 -1.79 0.00 0.31 -1.26 -4.98 118.33 108.49 2i8l n VAL 153 Ca 0.22 -0.19 -0.33 0.00 -0.01 0.00 0.00 64.34 64.04 2i8l n VAL 153 Cb 0.63 -3.02 0.04 0.00 -0.91 0.00 0.00 33.84 30.58 2i8l n VAL 153 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i8l s GLU 154 N -6.46 2.91 0.07 5.55 2.12 -1.26 -5.09 118.70 116.54 2i8l s GLU 154 Ca 0.43 1.31 -0.06 0.00 0.36 0.00 0.00 54.97 57.01 2i8l s GLU 154 Cb -0.22 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 2i8l s GLU 154 CO 0.84 -1.16 0.12 -1.21 -0.54 0.00 0.00 175.26 173.31 2i8l s GLU 155 N -4.17 0.74 0.00 4.30 2.02 -1.26 -4.73 118.70 115.60 2i8l s GLU 155 Ca 0.65 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.67 2i8l s GLU 155 Cb -0.19 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.33 2i8l s GLU 155 CO 0.42 -0.21 0.00 -1.91 0.02 0.00 0.00 175.26 173.58