#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oyp s ASP 2 N 0.00 7.17 0.07 3.17 1.01 -1.26 -4.80 116.67 122.02 2oyp s ASP 2 Ca 0.00 1.72 0.07 0.00 0.71 0.00 0.00 52.55 55.06 2oyp s ASP 2 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2oyp s ASP 2 CO 0.00 -0.15 -0.17 -0.83 0.21 0.00 0.00 175.17 174.23 2oyp s GLY 3 N -1.82 1.64 0.04 0.21 0.00 -1.26 -1.09 107.32 105.03 2oyp s GLY 3 Ca 0.53 -1.24 0.08 0.00 0.00 0.00 0.00 44.72 44.09 2oyp s GLY 3 CO 0.20 -1.16 -0.24 -0.19 0.00 0.00 0.00 173.10 171.71 2oyp s TYR 4 N -1.02 2.08 -0.09 1.90 2.02 0.91 -4.95 117.35 118.20 2oyp s TYR 4 Ca 0.16 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2oyp s TYR 4 Cb -0.11 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 2oyp s TYR 4 CO 0.08 0.09 -0.10 0.15 -1.57 0.00 0.00 175.55 174.19 2oyp s LYS 5 N -1.13 1.68 -0.02 -0.62 1.02 -1.26 0.28 119.74 119.69 2oyp s LYS 5 Ca 0.10 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2oyp s LYS 5 Cb -0.09 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 2oyp s LYS 5 CO 0.02 -0.12 -0.09 0.08 -0.92 0.00 0.00 175.35 174.32 2oyp s VAL 6 N 1.17 0.77 0.41 3.17 1.01 -0.54 -4.96 120.40 121.44 2oyp s VAL 6 Ca -0.05 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2oyp s VAL 6 Cb -0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 2oyp s VAL 6 CO -0.02 0.24 1.24 -1.61 0.00 0.00 0.00 175.10 174.94 2oyp s GLU 7 N 0.09 3.96 0.23 2.72 2.02 -1.26 -0.85 118.70 125.61 2oyp s GLU 7 Ca -0.01 2.01 -0.31 0.00 0.02 0.00 0.00 54.97 56.68 2oyp s GLU 7 Cb -0.07 -2.69 -0.14 0.00 0.10 0.00 0.00 34.13 31.33 2oyp s GLU 7 CO 0.00 -0.45 1.32 0.28 0.02 0.00 0.00 175.26 176.43 2oyp n VAL 8 N 0.03 1.05 0.00 2.63 0.31 -0.86 -1.54 118.33 119.95 2oyp n VAL 8 Ca 0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2oyp n VAL 8 Cb 0.45 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2oyp n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oyp n GLY 9 N 1.99 2.31 4.02 2.92 0.00 0.40 -4.92 105.19 111.92 2oyp n GLY 9 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2oyp n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oyp s LYS 10 N -0.37 2.01 -0.22 1.61 -0.14 -0.59 -4.30 119.74 117.75 2oyp s LYS 10 Ca 0.00 -1.49 -0.09 0.00 -1.36 0.00 0.00 55.97 53.03 2oyp s LYS 10 Cb 0.00 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2oyp s LYS 10 CO 0.00 -1.13 0.11 -0.80 -0.76 0.00 0.00 175.35 172.76 2oyp s ASN 11 N -4.72 5.79 0.01 2.83 0.01 -1.26 -0.70 114.94 116.90 2oyp s ASN 11 Ca 0.64 0.06 -0.25 0.00 -0.71 0.00 0.00 52.86 52.61 2oyp s ASN 11 Cb -0.05 -2.02 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 2oyp s ASN 11 CO 0.41 0.10 0.75 0.00 -1.51 0.00 0.00 177.10 176.86 2oyp s ALA 12 N 0.83 3.35 -0.24 0.60 0.00 -0.05 -4.89 121.76 121.36 2oyp s ALA 12 Ca 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 2oyp s ALA 12 Cb -0.13 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2oyp s ALA 12 CO 0.02 0.01 -0.05 -0.47 0.00 0.00 0.00 175.76 175.28 2oyp s TYR 13 N 0.23 3.03 -0.31 0.00 5.04 -1.26 -0.92 117.35 123.16 2oyp s TYR 13 Ca 0.39 -1.32 -0.01 0.00 -2.44 0.00 0.00 57.07 53.69 2oyp s TYR 13 Cb -0.20 -2.09 0.06 0.00 0.35 0.00 0.00 41.96 40.09 2oyp s TYR 13 CO 0.22 -0.67 0.00 -0.51 -1.34 0.00 0.00 175.55 173.26 2oyp s LEU 14 N 1.39 3.99 0.24 6.97 1.43 0.41 -4.99 118.68 128.12 2oyp s LEU 14 Ca 0.02 -1.39 -0.30 0.00 -1.03 0.00 0.00 54.13 51.43 2oyp s LEU 14 Cb -0.16 -1.70 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 2oyp s LEU 14 CO -0.04 -0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.21 2oyp s PRO 15 N 1.21 4.62 -0.25 1.29 0.04 -1.26 -0.94 135.00 139.69 2oyp s PRO 15 Ca -0.04 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 2oyp s PRO 15 Cb -0.20 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.19 2oyp s PRO 15 CO -0.02 0.15 0.63 0.00 0.04 0.00 0.00 177.00 177.80 2oyp s SER 17 N 1.47 0.01 0.14 0.00 0.01 -1.26 -0.71 113.70 113.36 2oyp s SER 17 Ca -0.09 -1.07 -0.17 0.00 1.31 0.00 0.00 55.95 55.93 2oyp s SER 17 Cb -0.06 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.71 2oyp s SER 17 CO -0.17 -1.00 0.45 -0.72 0.41 0.00 0.00 173.24 172.21 2oyp s TYR 18 N -4.06 -0.22 -0.40 2.43 -0.85 -0.45 -4.96 117.35 108.84 2oyp s TYR 18 Ca 0.27 -0.09 -0.29 0.00 -0.52 0.00 0.00 57.07 56.44 2oyp s TYR 18 Cb 0.02 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.70 2oyp s TYR 18 CO 0.09 -0.76 1.15 0.99 -1.52 0.00 0.00 175.55 175.50 2oyp s THR 19 N -3.81 4.28 -0.36 -3.49 2.01 -1.26 -4.55 115.64 108.46 2oyp s THR 19 Ca 0.04 1.39 -0.14 0.00 0.31 0.00 0.00 61.69 63.29 2oyp s THR 19 Cb 0.01 -4.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2oyp s THR 19 CO -0.10 -0.75 0.30 -0.22 -0.69 0.00 0.00 174.62 173.16 2oyp s LEU 20 N 4.24 4.61 0.64 4.42 2.96 -1.26 -5.07 118.68 129.22 2oyp s LEU 20 Ca 0.49 -0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 53.77 2oyp s LEU 20 Cb -0.10 -2.22 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 2oyp s LEU 20 CO 0.25 -0.32 0.69 -2.65 -1.32 0.00 0.00 176.35 173.00 2oyp n PRO 21 N 5.23 0.54 -1.67 0.98 -0.02 -1.26 -4.84 135.00 133.96 2oyp n PRO 21 Ca -0.11 0.22 -0.49 0.00 -2.02 0.00 0.00 63.50 61.11 2oyp n PRO 21 Cb 0.49 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2oyp n PRO 21 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2oyp n THR 22 N -2.02 0.24 -3.56 3.45 -1.04 -1.26 -0.60 114.28 109.49 2oyp n THR 22 Ca 0.12 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.05 61.82 2oyp n THR 22 Cb 0.48 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2oyp n THR 22 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2oyp n SER 23 N 4.65 -4.17 -4.83 8.00 3.41 -1.26 -4.96 113.62 114.45 2oyp n SER 23 Ca 0.20 -0.54 -0.33 0.00 -0.26 0.00 0.00 58.87 57.94 2oyp n SER 23 Cb 0.26 -3.41 -0.06 0.00 -0.26 0.00 0.00 64.21 60.75 2oyp n SER 23 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2oyp s GLY 24 N -2.92 2.29 0.29 5.00 0.00 0.23 -5.04 107.32 107.18 2oyp s GLY 24 Ca 0.49 0.28 -0.29 0.00 0.00 0.00 0.00 44.72 45.20 2oyp s GLY 24 CO 0.61 0.54 1.28 -1.59 0.00 0.00 0.00 173.10 173.94 2oyp s THR 25 N -2.25 2.92 0.46 0.90 2.01 -1.26 -4.93 115.64 113.48 2oyp s THR 25 Ca 0.60 0.88 -0.24 0.00 0.31 0.00 0.00 61.69 63.24 2oyp s THR 25 Cb -0.09 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 2oyp s THR 25 CO 0.18 0.19 1.28 -0.76 -0.69 0.00 0.00 174.62 174.83 2oyp s LEU 26 N -1.35 4.07 -0.16 4.42 1.43 -1.20 -4.92 118.68 120.97 2oyp s LEU 26 Ca 0.50 2.60 -0.16 0.00 -1.03 0.00 0.00 54.13 56.04 2oyp s LEU 26 Cb -0.38 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 2oyp s LEU 26 CO 0.48 -1.06 0.40 -0.69 0.23 0.00 0.00 176.35 175.71 2oyp s VAL 27 N -1.34 5.22 0.68 -1.59 1.01 -1.26 -4.22 120.40 118.89 2oyp s VAL 27 Ca 0.62 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 63.19 2oyp s VAL 27 Cb -0.36 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2oyp s VAL 27 CO 0.45 0.31 1.28 -2.84 0.00 0.00 0.00 175.10 174.31 2oyp s PRO 28 N 0.84 2.39 0.16 2.72 0.02 -1.26 -4.76 135.00 135.11 2oyp s PRO 28 Ca 0.21 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 63.12 2oyp s PRO 28 Cb -0.14 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.56 2oyp s PRO 28 CO 0.08 -1.71 0.38 0.00 -0.33 0.00 0.00 177.00 175.41 2oyp s MET 29 N -3.51 1.19 0.02 5.54 0.23 -1.18 -0.43 119.30 121.15 2oyp s MET 29 Ca 0.81 -0.97 -0.02 0.00 -1.03 0.00 0.00 55.69 54.49 2oyp s MET 29 Cb -0.36 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.36 2oyp s MET 29 CO 0.42 -0.46 0.01 0.00 -2.03 0.00 0.00 175.02 172.95 2oyp s TRP 31 N -1.67 3.14 0.06 0.00 0.52 0.42 -1.14 118.94 120.28 2oyp s TRP 31 Ca -0.14 0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.04 2oyp s TRP 31 Cb -0.08 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 2oyp s TRP 31 CO -0.01 0.27 -0.09 0.20 0.02 0.00 0.00 176.95 177.34 2oyp s GLY 32 N -0.29 0.61 -0.96 0.98 0.00 -0.35 -0.41 107.32 106.90 2oyp s GLY 32 Ca 0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 44.72 43.69 2oyp s GLY 32 CO 0.02 -0.97 1.15 1.25 0.00 0.00 0.00 173.10 174.55 2oyp s LYS 33 N -2.01 3.66 0.00 2.90 2.20 -0.26 -0.37 119.74 125.85 2oyp s LYS 33 Ca -0.05 -1.89 0.00 0.00 -0.36 0.00 0.00 55.97 53.68 2oyp s LYS 33 Cb -0.07 -4.91 0.00 0.00 -1.51 0.00 0.00 37.83 31.33 2oyp s LYS 33 CO -0.00 -1.75 0.00 0.41 -0.36 0.00 0.00 175.35 173.65 2oyp n GLY 34 N 5.27 -0.72 3.74 5.54 0.00 0.14 -4.59 105.19 114.57 2oyp n GLY 34 Ca 0.25 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 2oyp n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oyp s PHE 35 N -2.00 2.24 0.07 1.61 0.08 -1.26 -2.75 117.98 115.96 2oyp s PHE 35 Ca 0.00 1.55 -0.31 0.00 0.12 0.00 0.00 56.93 58.30 2oyp s PHE 35 Cb 0.00 -3.46 -0.08 0.00 -0.57 0.00 0.00 43.02 38.91 2oyp s PHE 35 CO 0.00 -2.39 1.58 0.00 -0.10 0.00 0.00 175.22 174.31 2oyp n PRO 37 N 5.29 -0.24 -0.16 0.00 -0.04 -1.26 -4.99 135.00 133.59 2oyp n PRO 37 Ca 0.15 -0.61 -0.09 0.00 -0.04 0.00 0.00 63.50 62.91 2oyp n PRO 37 Cb 0.41 -0.36 0.04 0.00 -0.04 0.00 0.00 33.50 33.56 2oyp n PRO 37 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 2oyp h TRP 38 N -1.10 1.08 -3.62 0.54 2.91 -2.01 -3.44 115.95 110.32 2oyp h TRP 38 Ca -0.12 -0.22 -0.40 0.00 1.13 0.00 0.00 58.89 59.28 2oyp h TRP 38 Cb 0.34 -0.27 -0.32 0.00 -0.51 0.00 0.00 29.16 28.40 2oyp h TRP 38 CO 0.00 1.01 -0.77 0.45 -1.03 0.00 0.00 178.44 178.10 2oyp s SER 39 N -6.67 0.97 0.76 2.65 0.15 -1.26 -5.08 113.70 105.22 2oyp s SER 39 Ca -0.11 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2oyp s SER 39 Cb 0.13 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2oyp s SER 39 CO 0.85 -0.00 0.00 1.67 1.20 0.00 0.00 173.24 176.96 2oyp n GLN 40 N 3.66 0.00 -4.26 5.44 0.00 -1.26 -4.79 117.38 116.17 2oyp n GLN 40 Ca -0.22 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.58 2oyp n GLN 40 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.65 2oyp n GLN 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2oyp s THR 42 N -1.72 5.21 -1.18 0.00 -4.23 -1.26 -4.58 115.64 107.89 2oyp s THR 42 Ca 0.08 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.26 2oyp s THR 42 Cb -0.07 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2oyp s THR 42 CO 0.04 -0.03 0.76 0.59 -0.54 0.00 0.00 174.62 175.44 2oyp n ASN 43 N -0.16 -4.48 -4.68 3.99 3.02 -1.26 -2.88 115.26 108.81 2oyp n ASN 43 Ca -0.04 -0.97 -0.45 0.00 -0.03 0.00 0.00 54.58 53.10 2oyp n ASN 43 Cb 0.52 -3.57 -0.03 0.00 -0.61 0.00 0.00 39.78 36.09 2oyp n ASN 43 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2oyp n GLU 44 N -4.13 2.19 -0.05 3.52 4.07 -1.26 -1.11 120.64 123.87 2oyp n GLU 44 Ca -0.13 0.79 -0.07 0.00 -0.06 0.00 0.00 57.16 57.68 2oyp n GLU 44 Cb 0.61 -2.51 -0.05 0.00 -0.06 0.00 0.00 31.44 29.43 2oyp n GLU 44 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2oyp n LEU 45 N 2.80 2.43 -3.66 4.31 4.77 0.45 -4.70 117.00 123.40 2oyp n LEU 45 Ca 0.14 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 2oyp n LEU 45 Cb 0.31 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2oyp n LEU 45 CO 0.63 0.59 0.31 -0.22 -1.33 0.00 0.00 177.39 177.37 2oyp s LEU 46 N -5.44 -0.43 0.03 2.23 0.20 -1.15 -0.37 118.68 113.74 2oyp s LEU 46 Ca -0.13 1.27 0.02 0.00 0.69 0.00 0.00 54.13 55.99 2oyp s LEU 46 Cb 0.03 2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 47.91 2oyp s LEU 46 CO 0.27 -0.22 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.43 2oyp s ARG 47 N 0.53 0.55 0.24 1.98 3.52 -0.08 -0.44 118.95 125.25 2oyp s ARG 47 Ca -0.02 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 55.04 2oyp s ARG 47 Cb -0.05 -0.42 -0.05 0.00 -1.56 0.00 0.00 34.95 32.87 2oyp s ARG 47 CO -0.02 0.10 -0.01 0.95 -0.81 0.00 0.00 175.30 175.50 2oyp s THR 48 N -0.91 1.15 0.00 4.11 -4.23 -0.19 -0.20 115.64 115.37 2oyp s THR 48 Ca -0.05 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2oyp s THR 48 Cb -0.07 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2oyp s THR 48 CO 0.00 -0.31 0.00 -0.90 -0.54 0.00 0.00 174.62 172.88 2oyp n ASP 49 N -0.46 0.74 0.09 3.99 5.68 0.06 -3.12 116.55 123.52 2oyp n ASP 49 Ca -0.05 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.34 2oyp n ASP 49 Cb 0.64 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.05 2oyp n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2oyp n GLU 50 N 0.00 0.13 -0.05 0.11 4.71 -1.26 -3.93 120.64 120.36 2oyp n GLU 50 Ca 0.00 0.36 -0.06 0.00 -0.01 0.00 0.00 57.16 57.45 2oyp n GLU 50 Cb 0.00 -1.74 -0.04 0.00 -1.01 0.00 0.00 31.44 28.64 2oyp n GLU 50 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2oyp n ARG 51 N -1.98 0.45 -3.76 3.49 1.74 -1.26 -3.23 116.66 112.10 2oyp n ARG 51 Ca 0.03 0.05 -0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2oyp n ARG 51 Cb 0.21 -1.19 0.02 0.00 -1.02 0.00 0.00 32.46 30.48 2oyp n ARG 51 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2oyp n ASN 52 N -2.73 -1.36 -4.68 0.55 2.85 -1.25 -5.03 115.26 103.60 2oyp n ASN 52 Ca -0.16 -1.54 -0.43 0.00 -0.11 0.00 0.00 54.58 52.34 2oyp n ASN 52 Cb 0.68 2.17 -0.01 0.00 1.24 0.00 0.00 39.78 43.86 2oyp n ASN 52 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2oyp n VAL 53 N -0.76 1.96 0.00 3.44 0.31 -1.26 -0.76 118.33 121.26 2oyp n VAL 53 Ca 0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2oyp n VAL 53 Cb 0.54 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2oyp n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2oyp n THR 54 N 0.38 0.00 -3.76 2.52 -2.24 0.71 -4.80 114.28 107.10 2oyp n THR 54 Ca 0.06 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2oyp n THR 54 Cb 0.35 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 2oyp n THR 54 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2oyp s TYR 55 N -1.82 -0.36 -0.04 4.78 5.04 -0.98 -4.96 117.35 119.00 2oyp s TYR 55 Ca 0.00 0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 55.49 2oyp s TYR 55 Cb 0.00 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.46 2oyp s TYR 55 CO 0.00 -0.18 0.05 -1.14 -1.34 0.00 0.00 175.55 172.93 2oyp s GLN 56 N 0.33 0.03 0.12 4.97 0.74 -1.26 -0.91 119.66 123.69 2oyp s GLN 56 Ca -0.01 0.31 -0.20 0.00 0.05 0.00 0.00 55.36 55.51 2oyp s GLN 56 Cb -0.03 -0.55 -0.08 0.00 1.10 0.00 0.00 33.01 33.45 2oyp s GLN 56 CO -0.01 -0.30 1.76 -0.22 -0.55 0.00 0.00 175.29 175.97 2oyp h LYS 57 N 8.28 0.24 -3.06 1.67 3.64 -0.99 -3.46 116.57 122.88 2oyp h LYS 57 Ca -0.17 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2oyp h LYS 57 Cb 1.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2oyp h LYS 57 CO 0.21 0.17 0.24 -1.54 -2.27 0.00 0.00 179.45 176.25 2oyp s SER 58 N -5.37 -0.02 0.39 4.20 1.04 -1.26 -5.04 113.70 107.64 2oyp s SER 58 Ca -0.13 -1.03 0.28 0.00 0.48 0.00 0.00 55.95 55.56 2oyp s SER 58 Cb 0.08 0.81 1.23 0.00 0.10 0.00 0.00 66.02 68.24 2oyp s SER 58 CO 0.69 -1.58 1.85 0.77 0.98 0.00 0.00 173.24 175.95 2oyp h SER 59 N 2.01 0.00 0.44 7.02 4.64 -1.99 -2.31 113.55 123.36 2oyp h SER 59 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 2oyp h SER 59 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2oyp h SER 59 CO 0.36 0.00 -0.12 0.03 -0.87 0.00 0.00 176.83 176.23 2oyp h ARG 60 N 0.00 0.00 -4.83 4.77 3.08 -1.94 -3.42 114.38 112.04 2oyp h ARG 60 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2oyp h ARG 60 Cb 0.36 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.15 2oyp h ARG 60 CO 0.00 0.12 -0.63 0.71 -1.07 0.00 0.00 179.97 179.10 2oyp s TYR 61 N -4.11 3.13 0.01 3.04 2.02 -0.87 -1.05 117.35 119.52 2oyp s TYR 61 Ca -0.02 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 55.74 2oyp s TYR 61 Cb 0.13 -2.24 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2oyp s TYR 61 CO 0.58 -0.56 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.31 2oyp s GLN 62 N 1.50 0.29 -0.12 -0.62 -0.21 -0.74 -4.77 119.66 114.99 2oyp s GLN 62 Ca 0.03 -0.28 -0.29 0.00 0.02 0.00 0.00 55.36 54.84 2oyp s GLN 62 Cb -0.17 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 2oyp s GLN 62 CO 0.02 0.04 1.44 -0.51 -2.12 0.00 0.00 175.29 174.17 2oyp s LEU 63 N -0.50 4.22 0.01 2.90 1.43 -1.26 -0.52 118.68 124.96 2oyp s LEU 63 Ca -0.03 1.90 0.13 0.00 -1.03 0.00 0.00 54.13 55.10 2oyp s LEU 63 Cb -0.04 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.45 2oyp s LEU 63 CO -0.00 -0.86 0.81 0.50 0.23 0.00 0.00 176.35 177.03 2oyp h LYS 64 N 8.90 0.00 0.00 1.70 1.63 -1.20 -3.47 116.57 124.13 2oyp h LYS 64 Ca -0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 2oyp h LYS 64 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2oyp h LYS 64 CO 0.97 0.52 0.00 0.41 -3.45 0.00 0.00 179.45 177.90 2oyp n GLY 65 N 1.48 1.83 3.35 5.01 0.00 -1.25 -5.04 105.19 110.57 2oyp n GLY 65 Ca -0.12 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 2oyp n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oyp s ASP 66 N -1.00 5.86 0.62 1.61 2.15 -1.17 -4.90 116.67 119.84 2oyp s ASP 66 Ca 0.00 -1.29 0.32 0.00 0.43 0.00 0.00 52.55 52.01 2oyp s ASP 66 Cb 0.00 -2.07 1.80 0.00 -0.30 0.00 0.00 42.92 42.34 2oyp s ASP 66 CO 0.00 -0.53 2.10 0.17 -0.17 0.00 0.00 175.17 176.73 2oyp h LEU 67 N 8.54 0.00 0.00 -1.34 -0.00 -1.86 0.70 115.31 121.35 2oyp h LEU 67 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2oyp h LEU 67 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2oyp h LEU 67 CO 0.78 0.00 0.00 0.59 -0.00 0.00 0.00 178.44 179.81 2oyp n ASN 68 N -3.42 0.00 -0.32 0.17 3.02 -1.26 -1.95 115.26 111.50 2oyp n ASN 68 Ca 0.00 0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.62 2oyp n ASN 68 Cb 0.31 -0.33 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 2oyp n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2oyp n LYS 69 N -1.33 2.62 -0.96 3.52 5.02 0.19 -4.98 118.16 122.24 2oyp n LYS 69 Ca 0.11 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 2oyp n LYS 69 Cb 0.23 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2oyp n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oyp n GLY 70 N 0.05 0.50 3.40 0.72 0.00 -0.82 -4.58 105.19 104.45 2oyp n GLY 70 Ca 0.06 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2oyp n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oyp s ASP 71 N -2.18 6.19 -0.37 1.61 -1.08 -0.92 -1.34 116.67 118.57 2oyp s ASP 71 Ca 0.00 -1.23 0.06 0.00 -0.52 0.00 0.00 52.55 50.86 2oyp s ASP 71 Cb 0.00 -2.25 0.48 0.00 -1.46 0.00 0.00 42.92 39.69 2oyp s ASP 71 CO 0.00 -0.86 1.50 1.33 0.52 0.00 0.00 175.17 177.66 2oyp n VAL 72 N 5.44 2.79 -2.01 1.11 0.24 0.11 -2.46 118.33 123.56 2oyp n VAL 72 Ca -0.10 -3.29 -0.41 0.00 -2.04 0.00 0.00 64.34 58.51 2oyp n VAL 72 Cb 0.44 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 32.01 2oyp n VAL 72 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2oyp s SER 73 N -2.74 6.61 -0.12 -1.34 0.01 -0.85 -4.45 113.70 110.82 2oyp s SER 73 Ca 0.51 2.81 -0.05 0.00 1.31 0.00 0.00 55.95 60.54 2oyp s SER 73 Cb 0.43 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2oyp s SER 73 CO 0.01 -0.66 0.05 -0.22 0.41 0.00 0.00 173.24 172.83 2oyp s LEU 74 N -1.93 3.85 -0.12 2.44 2.96 -0.12 -0.63 118.68 125.14 2oyp s LEU 74 Ca 0.51 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2oyp s LEU 74 Cb -0.42 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2oyp s LEU 74 CO 0.56 0.33 -0.01 -0.51 -1.32 0.00 0.00 176.35 175.40 2oyp s ILE 75 N -0.58 4.16 -0.26 6.68 1.10 0.33 -0.45 121.20 132.17 2oyp s ILE 75 Ca 0.11 -0.29 -0.00 0.00 -0.51 0.00 0.00 60.65 59.96 2oyp s ILE 75 Cb -0.12 -2.78 0.04 0.00 0.15 0.00 0.00 42.46 39.75 2oyp s ILE 75 CO 0.02 0.56 -0.06 -0.63 -2.11 0.00 0.00 174.94 172.71 2oyp s ILE 76 N -0.36 2.70 0.43 2.00 1.01 -0.10 -1.79 121.20 125.09 2oyp s ILE 76 Ca 0.07 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.25 2oyp s ILE 76 Cb -0.12 -2.45 -0.11 0.00 0.01 0.00 0.00 42.46 39.79 2oyp s ILE 76 CO 0.02 0.09 0.96 -0.54 0.00 0.00 0.00 174.94 175.47 2oyp s LYS 77 N 1.25 4.21 -1.00 2.79 1.02 -0.21 -0.87 119.74 126.94 2oyp s LYS 77 Ca -0.03 1.16 -0.12 0.00 0.02 0.00 0.00 55.97 57.00 2oyp s LYS 77 Cb -0.18 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2oyp s LYS 77 CO -0.04 -0.05 0.76 -1.71 -0.92 0.00 0.00 175.35 173.39 2oyp n ASN 78 N -0.59 -5.87 -4.78 2.83 5.15 -1.11 -4.88 115.26 106.01 2oyp n ASN 78 Ca 0.07 -0.80 -0.35 0.00 -0.60 0.00 0.00 54.58 52.90 2oyp n ASN 78 Cb 0.54 -3.63 -0.02 0.00 -0.53 0.00 0.00 39.78 36.14 2oyp n ASN 78 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oyp s VAL 79 N -3.28 3.43 0.44 3.44 -7.23 0.12 -4.68 120.40 112.64 2oyp s VAL 79 Ca 0.30 0.94 0.05 0.00 -1.81 0.00 0.00 61.98 61.46 2oyp s VAL 79 Cb -0.10 -3.41 -0.06 0.00 0.56 0.00 0.00 36.38 33.38 2oyp s VAL 79 CO 0.84 -0.15 0.01 0.42 -0.31 0.00 0.00 175.10 175.91 2oyp s THR 80 N -1.80 1.68 0.47 5.32 -4.23 -1.26 -0.45 115.64 115.37 2oyp s THR 80 Ca 0.68 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 2oyp s THR 80 Cb -0.22 -2.72 0.42 0.00 1.34 0.00 0.00 72.50 71.33 2oyp s THR 80 CO 0.26 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.45 2oyp h LEU 81 N 1.65 0.24 -2.50 4.79 5.85 -1.97 -1.01 115.31 122.37 2oyp h LEU 81 Ca -0.44 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 2oyp h LEU 81 Cb 1.26 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2oyp h LEU 81 CO 0.78 0.09 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.18 2oyp h ASP 82 N 0.23 0.00 0.51 1.25 3.58 -2.01 -1.92 116.42 118.06 2oyp h ASP 82 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 2oyp h ASP 82 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2oyp h ASP 82 CO -0.12 0.01 0.00 0.47 -2.88 0.00 0.00 179.24 176.72 2oyp n ASP 83 N -3.16 0.00 -4.75 2.28 8.00 -0.38 -4.88 116.55 113.66 2oyp n ASP 83 Ca -0.02 -0.07 -0.35 0.00 0.71 0.00 0.00 54.79 55.06 2oyp n ASP 83 Cb 0.14 -0.29 0.05 0.00 -0.02 0.00 0.00 41.12 41.00 2oyp n ASP 83 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2oyp s HIS 84 N -2.58 2.39 -3.28 1.24 -3.43 -0.73 -4.89 115.29 104.01 2oyp s HIS 84 Ca 0.25 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 56.06 2oyp s HIS 84 Cb 0.18 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.96 2oyp s HIS 84 CO 0.41 -2.11 0.00 0.41 -2.00 0.00 0.00 174.74 171.45 2oyp n GLY 85 N 0.15 0.78 3.76 -1.38 0.00 0.03 -4.97 105.19 103.56 2oyp n GLY 85 Ca 0.12 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 2oyp n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oyp s THR 86 N -1.65 4.77 0.05 2.61 2.01 -1.26 -0.28 115.64 121.88 2oyp s THR 86 Ca 0.00 1.48 0.08 0.00 0.31 0.00 0.00 61.69 63.57 2oyp s THR 86 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2oyp s THR 86 CO 0.00 0.40 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.78 2oyp s TYR 87 N -0.22 2.11 -0.16 4.92 2.02 -0.32 -0.69 117.35 125.02 2oyp s TYR 87 Ca 0.35 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 2oyp s TYR 87 Cb -0.20 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2oyp s TYR 87 CO 0.21 0.11 -0.18 0.00 -1.57 0.00 0.00 175.55 174.12 2oyp s ARG 90 N 1.53 2.68 -0.31 0.00 3.52 -0.29 -0.82 118.95 125.26 2oyp s ARG 90 Ca 0.05 -0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 54.85 2oyp s ARG 90 Cb -0.15 -2.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2oyp s ARG 90 CO 0.01 -0.13 0.12 0.42 -0.81 0.00 0.00 175.30 174.90 2oyp s ILE 91 N 1.14 4.27 -1.26 4.11 1.01 0.14 -1.23 121.20 129.39 2oyp s ILE 91 Ca -0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2oyp s ILE 91 Cb -0.14 -3.20 0.18 0.00 0.01 0.00 0.00 42.46 39.30 2oyp s ILE 91 CO -0.07 0.05 1.99 0.00 0.00 0.00 0.00 174.94 176.91 2oyp n GLN 92 N 4.92 4.11 -1.66 2.79 6.02 0.42 -1.12 117.38 132.87 2oyp n GLN 92 Ca -0.14 -3.68 -0.48 0.00 -0.01 0.00 0.00 57.00 52.69 2oyp n GLN 92 Cb 0.48 -2.76 -0.05 0.00 1.02 0.00 0.00 30.24 28.93 2oyp n GLN 92 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2oyp n PHE 93 N 2.71 2.17 -1.50 1.08 3.72 -1.26 -4.47 117.46 119.90 2oyp n PHE 93 Ca 0.45 0.27 -0.45 0.00 -0.05 0.00 0.00 57.45 57.67 2oyp n PHE 93 Cb 0.32 -2.54 -0.01 0.00 -0.94 0.00 0.00 39.48 36.30 2oyp n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2oyp n PRO 94 N 4.14 0.78 0.00 -1.08 -0.02 -1.26 -4.02 135.00 133.54 2oyp n PRO 94 Ca 0.19 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2oyp n PRO 94 Cb 0.27 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2oyp n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oyp n GLY 95 N 1.57 2.65 3.74 -1.23 0.00 -1.26 -4.74 105.19 105.92 2oyp n GLY 95 Ca 0.12 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2oyp n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oyp s LEU 96 N 0.00 4.36 -1.17 0.99 2.96 -1.26 -2.57 118.68 121.99 2oyp s LEU 96 Ca 0.00 2.84 -0.01 0.00 -0.22 0.00 0.00 54.13 56.74 2oyp s LEU 96 Cb 0.00 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.08 2oyp s LEU 96 CO 0.00 -0.89 0.06 0.23 -1.32 0.00 0.00 176.35 174.43 2oyp n MET 97 N 3.00 -2.36 0.01 1.98 2.81 -1.26 -4.85 117.12 116.45 2oyp n MET 97 Ca 0.11 0.64 0.11 0.00 -1.81 0.00 0.00 57.70 56.75 2oyp n MET 97 Cb 0.37 -5.27 -0.01 0.00 -0.71 0.00 0.00 33.22 27.61 2oyp n MET 97 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2oyp n ASN 98 N -1.89 0.72 -4.70 7.83 5.03 -1.06 -4.97 115.26 116.22 2oyp n ASN 98 Ca -0.15 -0.57 -0.43 0.00 0.87 0.00 0.00 54.58 54.31 2oyp n ASN 98 Cb 0.61 0.85 -0.01 0.00 -1.02 0.00 0.00 39.78 40.21 2oyp n ASN 98 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2oyp n ASP 99 N -1.67 2.95 -4.56 6.41 10.43 -1.26 -4.48 116.55 124.37 2oyp n ASP 99 Ca 0.03 1.19 -0.41 0.00 2.57 0.00 0.00 54.79 58.17 2oyp n ASP 99 Cb 0.37 -1.49 -0.09 0.00 1.84 0.00 0.00 41.12 41.76 2oyp n ASP 99 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2oyp s LYS 100 N -1.44 3.67 -0.19 -1.24 2.20 -0.28 -4.95 119.74 117.51 2oyp s LYS 100 Ca 0.59 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 2oyp s LYS 100 Cb -0.57 -3.78 -0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2oyp s LYS 100 CO 0.58 -0.53 -0.11 0.15 -0.36 0.00 0.00 175.35 175.08 2oyp s LYS 101 N 2.19 3.28 -0.08 4.03 1.02 -1.26 -0.68 119.74 128.24 2oyp s LYS 101 Ca 0.15 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2oyp s LYS 101 Cb -0.16 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2oyp s LYS 101 CO 0.12 -0.09 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.09 2oyp s LEU 102 N 1.13 1.93 -0.06 3.17 2.96 -0.00 -5.01 118.68 122.80 2oyp s LEU 102 Ca 0.01 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2oyp s LEU 102 Cb -0.14 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 2oyp s LEU 102 CO -0.03 0.12 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.29 2oyp s GLU 103 N 0.42 2.58 0.04 1.98 2.02 -1.26 -0.59 118.70 123.90 2oyp s GLU 103 Ca -0.17 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.02 2oyp s GLU 103 Cb -0.17 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 2oyp s GLU 103 CO 0.07 0.43 -0.13 -0.51 0.02 0.00 0.00 175.26 175.13 2oyp s LEU 104 N -0.26 2.19 -0.14 1.80 1.43 -0.44 -4.39 118.68 118.87 2oyp s LEU 104 Ca -0.00 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 2oyp s LEU 104 Cb -0.13 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 2oyp s LEU 104 CO 0.03 0.00 0.32 -0.75 0.23 0.00 0.00 176.35 176.17 2oyp s LYS 105 N -1.21 4.20 -0.20 1.70 2.47 -0.25 -1.18 119.74 125.28 2oyp s LYS 105 Ca 0.00 0.15 -0.04 0.00 -1.56 0.00 0.00 55.97 54.53 2oyp s LYS 105 Cb -0.08 -3.40 -0.02 0.00 -1.46 0.00 0.00 37.83 32.88 2oyp s LYS 105 CO 0.01 0.30 -0.04 -1.17 0.16 0.00 0.00 175.35 174.60 2oyp s LEU 106 N 0.28 3.00 0.02 5.43 2.96 0.61 -0.06 118.68 130.91 2oyp s LEU 106 Ca 0.18 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2oyp s LEU 106 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2oyp s LEU 106 CO 0.05 0.05 -0.12 -1.81 -1.32 0.00 0.00 176.35 173.20 2oyp s ASP 107 N 1.07 4.24 -0.20 3.68 1.01 0.14 -0.79 116.67 125.83 2oyp s ASP 107 Ca 0.01 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 52.96 2oyp s ASP 107 Cb -0.15 -0.87 -0.02 0.00 1.01 0.00 0.00 42.92 42.90 2oyp s ASP 107 CO 0.00 0.28 -0.02 -0.63 0.21 0.00 0.00 175.17 175.00 2oyp s ILE 108 N -0.95 3.70 -0.15 0.77 -1.09 -1.26 -1.47 121.20 120.76 2oyp s ILE 108 Ca 0.16 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 2oyp s ILE 108 Cb -0.11 -2.67 0.01 0.00 -1.58 0.00 0.00 42.46 38.11 2oyp s ILE 108 CO 0.06 0.43 0.54 2.29 -1.23 0.00 0.00 174.94 177.03