#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oul s VAL 5 N 0.00 4.59 0.32 3.15 1.01 0.43 -5.02 120.40 124.88 2oul s VAL 5 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2oul s VAL 5 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2oul s VAL 5 CO 0.00 0.57 0.18 0.35 0.00 0.00 0.00 175.10 176.20 2oul n THR 6 N 2.47 0.00 0.29 3.92 -2.24 -1.26 -0.63 114.28 116.82 2oul n THR 6 Ca -0.18 -2.06 0.14 0.00 -2.27 0.00 0.00 64.05 59.68 2oul n THR 6 Cb 0.54 0.87 0.86 0.00 -2.10 0.00 0.00 70.33 70.50 2oul n THR 6 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2oul h LYS 7 N 0.00 0.00 -0.10 -0.78 1.57 -2.00 -1.76 116.57 113.50 2oul h LYS 7 Ca -0.24 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2oul h LYS 7 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2oul h LYS 7 CO 0.37 0.04 0.10 0.00 -0.57 0.00 0.00 179.45 179.39 2oul h ALA 8 N 1.96 1.77 -0.47 3.86 0.00 -1.96 -1.99 119.26 122.44 2oul h ALA 8 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2oul h ALA 8 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2oul h ALA 8 CO 0.01 -0.15 0.00 0.72 0.00 0.00 0.00 179.25 179.82 2oul n HIS 9 N -3.97 0.67 -1.68 0.00 8.25 -0.66 -4.96 115.22 112.87 2oul n HIS 9 Ca -0.00 -0.32 -0.51 0.00 -0.26 0.00 0.00 57.72 56.62 2oul n HIS 9 Cb 0.21 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.24 2oul n HIS 9 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2oul n ASN 10 N 0.85 2.93 0.00 0.41 5.15 -0.75 -1.00 115.26 122.85 2oul n ASN 10 Ca 0.16 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 2oul n ASN 10 Cb 0.42 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 2oul n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oul n GLY 11 N 4.05 1.36 3.83 8.20 0.00 0.40 -4.95 105.19 118.09 2oul n GLY 11 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2oul n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oul s ALA 12 N -3.24 2.89 -0.19 4.61 0.00 -0.17 -4.83 121.76 120.82 2oul s ALA 12 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 2oul s ALA 12 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2oul s ALA 12 CO 0.00 -0.78 -0.00 0.99 0.00 0.00 0.00 175.76 175.97 2oul s THR 13 N -2.85 4.03 -0.10 0.00 2.01 -1.26 -1.67 115.64 115.79 2oul s THR 13 Ca 0.59 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2oul s THR 13 Cb -0.13 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2oul s THR 13 CO 0.45 0.45 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.96 2oul s LEU 14 N 0.77 2.88 -0.08 4.42 1.43 0.06 -4.97 118.68 123.19 2oul s LEU 14 Ca 0.00 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 2oul s LEU 14 Cb -0.14 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2oul s LEU 14 CO 0.02 0.24 0.51 0.28 0.23 0.00 0.00 176.35 177.63 2oul s THR 15 N -0.11 5.10 0.12 5.49 -1.32 -1.26 -0.99 115.64 122.67 2oul s THR 15 Ca -0.00 1.03 -0.08 0.00 -1.21 0.00 0.00 61.69 61.43 2oul s THR 15 Cb -0.13 -3.84 -0.01 0.00 -1.51 0.00 0.00 72.50 67.00 2oul s THR 15 CO 0.03 0.37 0.20 -0.69 -2.21 0.00 0.00 174.62 172.33 2oul s VAL 16 N 0.25 0.11 0.08 5.08 1.01 -0.28 -4.94 120.40 121.71 2oul s VAL 16 Ca 0.27 -1.38 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2oul s VAL 16 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2oul s VAL 16 CO 0.13 -0.51 0.11 0.00 0.00 0.00 0.00 175.10 174.83 2oul s ALA 17 N -3.93 3.66 0.17 5.51 0.00 -1.26 -4.00 121.76 121.91 2oul s ALA 17 Ca 0.12 -0.98 -0.33 0.00 0.00 0.00 0.00 51.96 50.76 2oul s ALA 17 Cb 0.05 -1.52 -0.13 0.00 0.00 0.00 0.00 23.12 21.52 2oul s ALA 17 CO -0.05 0.76 1.61 0.28 0.00 0.00 0.00 175.76 178.36 2oul n VAL 18 N 0.40 0.00 0.00 0.00 0.31 -1.26 -1.77 118.33 116.02 2oul n VAL 18 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2oul n VAL 18 Cb 0.52 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2oul n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oul n GLY 19 N 3.54 2.19 3.78 2.92 0.00 0.10 -5.01 105.19 112.71 2oul n GLY 19 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2oul n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oul s GLU 20 N -0.75 4.29 -0.21 1.61 2.02 -0.73 -4.84 118.70 120.09 2oul s GLU 20 Ca 0.00 1.56 -0.17 0.00 0.02 0.00 0.00 54.97 56.38 2oul s GLU 20 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 2oul s GLU 20 CO 0.00 -0.04 0.44 -1.17 0.02 0.00 0.00 175.26 174.51 2oul s LEU 21 N -2.35 4.14 -0.27 1.80 1.98 -1.26 -3.37 118.68 119.34 2oul s LEU 21 Ca 0.54 0.54 -0.08 0.00 -2.89 0.00 0.00 54.13 52.25 2oul s LEU 21 Cb -0.24 -2.57 -0.02 0.00 0.66 0.00 0.00 46.19 44.03 2oul s LEU 21 CO 0.30 -0.12 0.09 -0.69 -1.89 0.00 0.00 176.35 174.04 2oul s VAL 22 N 1.51 4.32 -0.32 1.68 1.01 0.12 -4.95 120.40 123.78 2oul s VAL 22 Ca 0.20 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2oul s VAL 22 Cb -0.15 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 2oul s VAL 22 CO 0.09 0.22 0.67 -0.70 0.00 0.00 0.00 175.10 175.37 2oul s GLU 23 N 1.59 3.85 -0.19 2.72 2.12 -1.26 -1.09 118.70 126.45 2oul s GLU 23 Ca 0.05 0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.59 2oul s GLU 23 Cb -0.16 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 2oul s GLU 23 CO 0.04 -0.64 0.09 0.42 -0.54 0.00 0.00 175.26 174.62 2oul s ILE 24 N 2.72 4.97 -0.14 -3.70 1.01 -0.06 -0.43 121.20 125.57 2oul s ILE 24 Ca 0.27 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.96 2oul s ILE 24 Cb -0.15 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.09 2oul s ILE 24 CO 0.13 0.44 -0.15 -1.10 0.00 0.00 0.00 174.94 174.26 2oul s GLN 25 N 0.44 2.38 -0.04 2.79 -0.21 0.20 -0.55 119.66 124.67 2oul s GLN 25 Ca 0.05 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 54.85 2oul s GLN 25 Cb -0.12 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 31.77 2oul s GLN 25 CO -0.00 -0.20 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.38 2oul s LEU 26 N 1.36 1.63 0.44 2.90 1.43 0.03 -4.19 118.68 122.28 2oul s LEU 26 Ca 0.03 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 2oul s LEU 26 Cb -0.13 -0.60 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 2oul s LEU 26 CO -0.09 0.03 1.42 -2.84 0.23 0.00 0.00 176.35 175.10 2oul s PRO 27 N 0.50 3.75 -0.28 1.29 0.02 -1.26 -0.02 135.00 139.00 2oul s PRO 27 Ca -0.08 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.19 2oul s PRO 27 Cb -0.12 -2.69 0.08 0.00 0.02 0.00 0.00 34.50 31.79 2oul s PRO 27 CO 0.01 -0.76 0.68 0.45 -0.33 0.00 0.00 177.00 177.05 2oul s SER 28 N -0.50 -0.95 -0.39 2.53 0.15 -0.60 -4.75 113.70 109.20 2oul s SER 28 Ca 0.60 1.50 0.03 0.00 0.70 0.00 0.00 55.95 58.79 2oul s SER 28 Cb -0.43 1.46 0.11 0.00 -1.71 0.00 0.00 66.02 65.45 2oul s SER 28 CO 0.56 -0.24 0.12 0.21 1.20 0.00 0.00 173.24 175.10 2oul s ASN 29 N 1.76 4.49 0.25 5.45 3.84 -1.26 -0.80 114.94 128.67 2oul s ASN 29 Ca -0.10 -2.34 0.23 0.00 0.21 0.00 0.00 52.86 50.86 2oul s ASN 29 Cb -0.06 -1.50 0.97 0.00 -0.55 0.00 0.00 41.25 40.11 2oul s ASN 29 CO -0.20 -0.34 1.69 -0.81 -2.79 0.00 0.00 177.10 174.66 2oul n PRO 30 N 3.99 0.18 0.02 0.43 -0.04 -1.26 -2.58 135.00 135.75 2oul n PRO 30 Ca 0.04 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 64.02 2oul n PRO 30 Cb 0.39 -1.86 0.40 0.00 -0.04 0.00 0.00 33.50 32.39 2oul n PRO 30 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2oul n THR 31 N -2.20 0.76 0.93 0.52 -2.24 -1.26 -2.18 114.28 108.61 2oul n THR 31 Ca 0.02 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 2oul n THR 31 Cb 0.21 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 2oul n THR 31 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2oul n THR 32 N -1.64 0.00 0.00 4.28 -2.24 -1.07 -4.98 114.28 108.63 2oul n THR 32 Ca 0.04 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2oul n THR 32 Cb 0.22 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2oul n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oul n GLY 33 N 1.44 2.07 3.84 3.38 0.00 -0.93 -5.03 105.19 109.97 2oul n GLY 33 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2oul n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oul s PHE 34 N -2.44 3.45 0.34 1.61 0.08 -1.25 -4.37 117.98 115.41 2oul s PHE 34 Ca 0.00 1.22 -0.14 0.00 0.12 0.00 0.00 56.93 58.13 2oul s PHE 34 Cb 0.00 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 2oul s PHE 34 CO 0.00 0.18 0.67 0.00 -0.10 0.00 0.00 175.22 175.97 2oul s ALA 35 N -1.83 -0.47 -0.14 5.36 0.00 -0.86 -3.98 121.76 119.84 2oul s ALA 35 Ca 0.50 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 2oul s ALA 35 Cb -0.12 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2oul s ALA 35 CO 0.19 -0.94 0.26 -1.58 0.00 0.00 0.00 175.76 173.69 2oul s TRP 36 N -3.02 3.51 0.01 0.00 0.52 -1.26 -0.76 118.94 117.95 2oul s TRP 36 Ca 0.18 0.60 -0.00 0.00 0.02 0.00 0.00 56.10 56.90 2oul s TRP 36 Cb -0.04 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 2oul s TRP 36 CO 0.12 0.37 -0.02 0.71 0.02 0.00 0.00 176.95 178.15 2oul s TYR 37 N 0.05 0.20 0.92 -1.98 2.02 -0.08 -4.85 117.35 113.63 2oul s TYR 37 Ca 0.16 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.33 2oul s TYR 37 Cb -0.13 -0.15 0.14 0.00 -0.40 0.00 0.00 41.96 41.43 2oul s TYR 37 CO 0.04 -0.16 1.11 -0.06 -1.57 0.00 0.00 175.55 174.92 2oul s PHE 38 N -1.16 2.40 0.26 2.71 0.40 -0.28 -0.84 117.98 121.46 2oul s PHE 38 Ca -0.13 1.01 -0.31 0.00 -0.60 0.00 0.00 56.93 56.90 2oul s PHE 38 Cb -0.08 -3.27 -0.12 0.00 0.51 0.00 0.00 43.02 40.06 2oul s PHE 38 CO -0.01 -2.45 1.67 -1.91 0.70 0.00 0.00 175.22 173.22 2oul n GLU 39 N -3.87 2.77 0.00 0.44 2.13 -1.26 -1.72 120.64 119.13 2oul n GLU 39 Ca 0.06 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.88 2oul n GLU 39 Cb 0.57 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.47 2oul n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oul n GLY 40 N 3.02 1.71 1.41 8.31 0.00 -1.26 -4.59 105.19 113.79 2oul n GLY 40 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2oul n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oul n GLY 41 N -1.55 0.95 3.32 -0.02 0.00 -0.70 -5.08 105.19 102.11 2oul n GLY 41 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 2oul n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oul s THR 42 N -2.91 1.75 -2.26 2.61 -1.32 -1.24 -4.97 115.64 107.31 2oul s THR 42 Ca 0.00 -1.90 0.26 0.00 -1.21 0.00 0.00 61.69 58.84 2oul s THR 42 Cb 0.00 -1.81 0.28 0.00 -1.51 0.00 0.00 72.50 69.46 2oul s THR 42 CO 0.00 -0.34 1.47 0.29 -2.21 0.00 0.00 174.62 173.83 2oul n LYS 43 N 0.30 1.43 -3.35 7.08 4.76 -1.26 -1.13 118.16 125.98 2oul n LYS 43 Ca -0.13 -0.99 -0.33 0.00 -2.87 0.00 0.00 58.31 53.98 2oul n LYS 43 Cb 0.57 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 2oul n LYS 43 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2oul s GLU 44 N -2.26 3.91 0.16 1.97 0.41 -1.26 -4.85 118.70 116.78 2oul s GLU 44 Ca 0.28 0.42 -0.34 0.00 -0.41 0.00 0.00 54.97 54.92 2oul s GLU 44 Cb 0.20 -2.75 -0.15 0.00 -1.78 0.00 0.00 34.13 29.65 2oul s GLU 44 CO 0.44 0.37 1.32 0.45 -0.49 0.00 0.00 175.26 177.35 2oul n SER 45 N 0.24 1.97 -0.03 -0.19 2.88 -1.26 -4.85 113.62 112.38 2oul n SER 45 Ca -0.02 1.13 0.22 0.00 -1.33 0.00 0.00 58.87 58.87 2oul n SER 45 Cb 0.52 -1.28 0.70 0.00 -0.75 0.00 0.00 64.21 63.40 2oul n SER 45 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2oul h PRO 46 N 4.27 0.00 -1.31 -1.46 0.11 -1.96 -3.39 132.00 128.26 2oul h PRO 46 Ca -0.45 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2oul h PRO 46 Cb 1.31 -0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.19 2oul h PRO 46 CO 0.76 0.00 -0.47 1.21 -0.21 0.00 0.00 178.00 179.29 2oul s ASN 47 N -6.11 -0.73 0.60 -2.05 3.84 -1.26 -5.04 114.94 104.19 2oul s ASN 47 Ca -0.05 -0.34 0.29 0.00 0.21 0.00 0.00 52.86 52.98 2oul s ASN 47 Cb 0.20 1.60 1.66 0.00 -0.55 0.00 0.00 41.25 44.16 2oul s ASN 47 CO 0.74 -0.29 2.08 -0.08 -2.79 0.00 0.00 177.10 176.76 2oul h GLU 48 N 7.77 0.00 0.00 0.43 4.57 -1.77 -0.69 114.58 124.89 2oul h GLU 48 Ca -0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2oul h GLU 48 Cb 1.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2oul h GLU 48 CO 0.18 0.00 -0.61 0.77 -1.18 0.00 0.00 179.01 178.17 2oul h SER 49 N 0.00 0.00 0.04 1.04 0.02 -1.98 -3.34 113.55 109.33 2oul h SER 49 Ca 0.09 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.82 2oul h SER 49 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2oul h SER 49 CO -0.00 0.61 -1.18 0.24 -1.14 0.00 0.00 176.83 175.36 2oul h MET 50 N 0.00 0.08 -1.95 3.45 2.86 -1.50 -3.30 114.93 114.57 2oul h MET 50 Ca -0.01 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2oul h MET 50 Cb 1.10 0.05 -0.22 0.00 0.06 0.00 0.00 31.60 32.60 2oul h MET 50 CO 0.08 1.07 0.17 -0.59 1.06 0.00 0.00 176.91 178.70 2oul s PHE 51 N -2.39 -0.75 0.21 -0.22 -0.12 -0.86 0.05 117.98 113.90 2oul s PHE 51 Ca -0.25 1.84 -0.09 0.00 -0.05 0.00 0.00 56.93 58.38 2oul s PHE 51 Cb 0.04 0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 42.65 2oul s PHE 51 CO 0.66 -0.36 0.53 0.95 -0.05 0.00 0.00 175.22 176.95 2oul s THR 52 N 0.38 4.95 -0.07 -4.49 -4.23 -0.66 -4.12 115.64 107.41 2oul s THR 52 Ca 0.00 0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2oul s THR 52 Cb -0.05 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2oul s THR 52 CO -0.00 -0.04 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.25 2oul s VAL 53 N -1.78 0.96 0.22 2.29 1.01 -1.26 -1.86 120.40 119.98 2oul s VAL 53 Ca 0.46 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2oul s VAL 53 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2oul s VAL 53 CO 0.21 0.32 0.07 -0.70 0.00 0.00 0.00 175.10 175.00 2oul s GLU 54 N 0.87 2.57 -0.02 2.72 2.56 -0.61 -4.74 118.70 122.05 2oul s GLU 54 Ca -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 54.97 53.66 2oul s GLU 54 Cb -0.15 -2.38 0.00 0.00 2.00 0.00 0.00 34.13 33.60 2oul s GLU 54 CO 0.01 0.41 0.08 1.21 -0.56 0.00 0.00 175.26 176.42 2oul s ASN 55 N -3.45 -0.01 -0.20 -1.70 2.47 -1.26 -1.18 114.94 109.61 2oul s ASN 55 Ca 0.31 -0.03 -0.12 0.00 0.42 0.00 0.00 52.86 53.43 2oul s ASN 55 Cb -0.08 0.18 0.06 0.00 -1.45 0.00 0.00 41.25 39.96 2oul s ASN 55 CO 0.21 -0.16 0.49 -0.54 -3.72 0.00 0.00 177.10 173.38 2oul s LYS 56 N -0.57 0.50 -0.03 0.43 -0.14 0.14 -5.00 119.74 115.07 2oul s LYS 56 Ca -0.06 0.88 -0.15 0.00 -1.36 0.00 0.00 55.97 55.28 2oul s LYS 56 Cb -0.04 0.07 -0.05 0.00 -1.68 0.00 0.00 37.83 36.12 2oul s LYS 56 CO 0.00 -0.14 0.40 -0.47 -0.76 0.00 0.00 175.35 174.38 2oul s TYR 57 N 1.27 3.68 -0.19 3.18 5.04 -1.26 -0.02 117.35 129.05 2oul s TYR 57 Ca -0.08 0.94 0.01 0.00 -2.44 0.00 0.00 57.07 55.50 2oul s TYR 57 Cb -0.07 -2.31 0.03 0.00 0.35 0.00 0.00 41.96 39.96 2oul s TYR 57 CO -0.12 0.56 -0.16 -0.06 -1.34 0.00 0.00 175.55 174.43 2oul s PHE 58 N -0.76 2.71 0.82 4.97 0.08 0.19 -5.00 117.98 120.99 2oul s PHE 58 Ca 0.23 -1.69 -0.11 0.00 0.12 0.00 0.00 56.93 55.48 2oul s PHE 58 Cb -0.16 -1.82 0.09 0.00 -0.57 0.00 0.00 43.02 40.55 2oul s PHE 58 CO 0.12 -0.79 1.09 -1.25 -0.10 0.00 0.00 175.22 174.29 2oul s PRO 59 N 1.31 1.83 0.71 0.24 0.04 -1.26 -1.33 135.00 136.54 2oul s PRO 59 Ca 0.02 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2oul s PRO 59 Cb -0.15 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2oul s PRO 59 CO -0.10 -1.90 1.07 -1.25 0.04 0.00 0.00 177.00 174.86 2oul s PRO 60 N -4.91 2.75 0.46 0.56 0.04 -1.26 -4.83 135.00 127.80 2oul s PRO 60 Ca 0.62 1.07 0.29 0.00 0.04 0.00 0.00 61.00 63.02 2oul s PRO 60 Cb -0.18 -1.96 1.03 0.00 0.04 0.00 0.00 34.50 33.43 2oul s PRO 60 CO 0.56 -1.26 1.84 0.22 0.04 0.00 0.00 177.00 178.41 2oul h ASP 61 N -0.71 0.00 -3.01 6.66 1.82 -1.96 -3.44 116.42 115.79 2oul h ASP 61 Ca -0.44 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 55.62 2oul h ASP 61 Cb 1.22 0.00 0.10 0.00 0.68 0.00 0.00 39.33 41.33 2oul h ASP 61 CO 0.55 0.00 0.44 -0.24 -1.61 0.00 0.00 179.24 178.38 2oul n SER 62 N -2.92 2.44 -1.58 2.28 2.88 -1.26 -4.94 113.62 110.51 2oul n SER 62 Ca 0.02 1.19 0.09 0.00 -1.33 0.00 0.00 58.87 58.84 2oul n SER 62 Cb 0.36 -1.43 0.35 0.00 -0.75 0.00 0.00 64.21 62.74 2oul n SER 62 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2oul n LYS 63 N 0.86 3.76 -2.44 -1.46 4.76 -1.26 -4.99 118.16 117.38 2oul n LYS 63 Ca 0.07 -2.78 -0.35 0.00 -2.87 0.00 0.00 58.31 52.38 2oul n LYS 63 Cb 0.34 -1.92 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 2oul n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2oul s LEU 64 N -1.87 3.84 -0.07 -0.35 1.43 -1.26 -4.99 118.68 115.40 2oul s LEU 64 Ca 0.50 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.33 2oul s LEU 64 Cb 0.33 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 2oul s LEU 64 CO 0.23 -0.91 1.01 -0.76 0.23 0.00 0.00 176.35 176.14 2oul s LEU 65 N -3.51 4.29 0.00 1.79 1.43 -1.26 -3.55 118.68 117.86 2oul s LEU 65 Ca 0.68 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 2oul s LEU 65 Cb -0.20 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2oul s LEU 65 CO 0.23 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2oul n GLY 66 N 3.04 0.69 3.70 -3.19 0.00 -1.26 -5.06 105.19 103.11 2oul n GLY 66 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2oul n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oul s ALA 67 N -2.63 3.54 0.51 4.61 0.00 -1.23 -4.98 121.76 121.57 2oul s ALA 67 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 2oul s ALA 67 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2oul s ALA 67 CO 0.00 -0.72 0.89 0.20 0.00 0.00 0.00 175.76 176.12 2oul s GLY 68 N 1.48 1.75 0.00 0.00 0.00 -1.26 -4.75 107.32 104.53 2oul s GLY 68 Ca 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2oul s GLY 68 CO 0.28 0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.01 2oul n GLY 69 N -2.06 4.12 2.99 0.20 0.00 0.02 -4.19 105.19 106.27 2oul n GLY 69 Ca 0.04 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 2oul n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oul s THR 70 N 4.27 -0.04 -0.13 2.61 2.01 -0.44 -1.55 115.64 122.37 2oul s THR 70 Ca 0.00 0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.98 2oul s THR 70 Cb 0.00 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 2oul s THR 70 CO 0.00 0.06 0.39 -1.61 -0.69 0.00 0.00 174.62 172.77 2oul s GLU 71 N 1.06 4.29 -0.23 4.92 2.02 0.97 -0.64 118.70 131.08 2oul s GLU 71 Ca -0.08 0.29 -0.09 0.00 0.02 0.00 0.00 54.97 55.10 2oul s GLU 71 Cb -0.10 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 2oul s GLU 71 CO -0.06 0.21 0.12 -1.01 0.02 0.00 0.00 175.26 174.54 2oul s HIS 72 N 0.50 3.25 -0.27 1.61 3.76 0.97 -0.79 115.29 124.33 2oul s HIS 72 Ca 0.22 0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 55.15 2oul s HIS 72 Cb -0.14 -2.23 0.01 0.00 1.11 0.00 0.00 32.58 31.33 2oul s HIS 72 CO 0.07 -0.01 0.01 -0.06 -0.85 0.00 0.00 174.74 173.91 2oul s PHE 73 N 1.06 3.10 -0.55 1.40 0.40 0.29 -0.68 117.98 123.00 2oul s PHE 73 Ca 0.06 -1.19 -0.19 0.00 -0.60 0.00 0.00 56.93 55.01 2oul s PHE 73 Cb -0.14 -2.16 0.08 0.00 0.51 0.00 0.00 43.02 41.31 2oul s PHE 73 CO 0.04 -0.63 0.67 -1.01 0.70 0.00 0.00 175.22 174.99 2oul s HIS 74 N 1.43 3.02 -0.23 0.36 3.76 -0.32 -0.88 115.29 122.43 2oul s HIS 74 Ca 0.02 -0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 54.11 2oul s HIS 74 Cb -0.17 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.72 2oul s HIS 74 CO -0.01 -1.16 0.10 0.08 -0.85 0.00 0.00 174.74 172.90 2oul s VAL 75 N 2.67 4.78 -0.21 -0.90 1.01 -0.25 -1.58 120.40 125.93 2oul s VAL 75 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 2oul s VAL 75 Cb -0.21 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2oul s VAL 75 CO 0.09 0.37 -0.09 -0.89 0.00 0.00 0.00 175.10 174.58 2oul s THR 76 N 1.09 2.94 0.16 3.92 2.01 -0.78 0.16 115.64 125.14 2oul s THR 76 Ca 0.05 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2oul s THR 76 Cb -0.14 -2.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.98 2oul s THR 76 CO 0.04 0.45 1.16 -0.69 -0.69 0.00 0.00 174.62 174.89 2oul s VAL 77 N 1.41 3.76 -0.06 3.82 1.01 -1.22 -1.65 120.40 127.47 2oul s VAL 77 Ca 0.05 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.53 2oul s VAL 77 Cb -0.14 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2oul s VAL 77 CO -0.06 0.22 0.14 0.29 0.00 0.00 0.00 175.10 175.68 2oul n LYS 78 N 2.70 1.39 -4.07 2.72 4.76 0.11 0.00 118.16 125.77 2oul n LYS 78 Ca 0.05 -0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.37 2oul n LYS 78 Cb 0.45 -1.04 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 2oul n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2oul s ALA 79 N -2.16 0.45 0.61 7.82 0.00 -1.14 -4.91 121.76 122.43 2oul s ALA 79 Ca -0.01 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.71 2oul s ALA 79 Cb 0.04 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2oul s ALA 79 CO 0.22 -0.31 1.12 0.00 0.00 0.00 0.00 175.76 176.79 2oul s ALA 80 N -3.32 2.56 0.00 0.00 0.00 -1.26 -4.80 121.76 114.93 2oul s ALA 80 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2oul s ALA 80 Cb 0.04 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2oul s ALA 80 CO -0.08 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2oul n GLY 81 N -0.18 2.29 3.39 0.00 0.00 -0.29 -4.96 105.19 105.44 2oul n GLY 81 Ca 0.11 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2oul n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oul s THR 82 N -1.62 4.61 -0.22 2.61 2.01 -1.26 -1.37 115.64 120.39 2oul s THR 82 Ca 0.00 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 2oul s THR 82 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2oul s THR 82 CO 0.00 -0.19 0.03 -1.00 -0.69 0.00 0.00 174.62 172.78 2oul s HIS 83 N 1.57 3.07 -0.27 4.92 4.02 0.72 -4.86 115.29 124.46 2oul s HIS 83 Ca 0.03 -0.43 -0.29 0.00 1.02 0.00 0.00 55.06 55.39 2oul s HIS 83 Cb -0.19 -2.15 -0.01 0.00 -1.02 0.00 0.00 32.58 29.21 2oul s HIS 83 CO 0.07 -0.28 1.35 0.00 1.02 0.00 0.00 174.74 176.90 2oul s ALA 84 N 1.25 3.39 -0.49 -1.40 0.00 -1.26 -0.88 121.76 122.37 2oul s ALA 84 Ca 0.04 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 2oul s ALA 84 Cb -0.15 -3.77 0.08 0.00 0.00 0.00 0.00 23.12 19.29 2oul s ALA 84 CO 0.02 -1.71 0.42 0.54 0.00 0.00 0.00 175.76 175.02 2oul s VAL 85 N 4.38 5.22 -0.31 0.00 0.11 -0.11 -5.02 120.40 124.67 2oul s VAL 85 Ca 0.58 -1.16 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2oul s VAL 85 Cb -0.19 -4.16 0.02 0.00 -1.53 0.00 0.00 36.38 30.52 2oul s VAL 85 CO 0.23 -0.64 0.08 0.20 -3.33 0.00 0.00 175.10 171.64 2oul s ASN 86 N 2.80 5.16 0.12 3.54 0.01 -1.26 -2.12 114.94 123.19 2oul s ASN 86 Ca 0.04 -0.83 0.09 0.00 -0.71 0.00 0.00 52.86 51.45 2oul s ASN 86 Cb -0.25 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2oul s ASN 86 CO 0.06 -0.23 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.47 2oul s LEU 87 N 1.47 2.67 -0.03 0.60 1.43 -0.02 -4.45 118.68 120.36 2oul s LEU 87 Ca 0.01 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2oul s LEU 87 Cb -0.18 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 2oul s LEU 87 CO 0.02 0.18 -0.12 -0.89 0.23 0.00 0.00 176.35 175.77 2oul s THR 88 N -1.14 1.02 -0.41 5.49 2.01 -0.02 -1.02 115.64 121.58 2oul s THR 88 Ca 0.18 -0.50 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 2oul s THR 88 Cb -0.11 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2oul s THR 88 CO 0.10 0.30 0.69 -0.47 -0.69 0.00 0.00 174.62 174.55 2oul s TYR 89 N 0.03 3.08 0.16 4.92 6.14 0.16 -0.91 117.35 130.94 2oul s TYR 89 Ca -0.01 0.18 -0.19 0.00 0.64 0.00 0.00 57.07 57.68 2oul s TYR 89 Cb -0.09 -3.36 0.04 0.00 0.42 0.00 0.00 41.96 38.98 2oul s TYR 89 CO 0.01 -0.81 0.52 0.00 0.64 0.00 0.00 175.55 175.91 2oul s MET 90 N 2.92 1.27 -0.02 4.97 0.23 0.06 -4.14 119.30 124.59 2oul s MET 90 Ca 0.26 -0.68 -0.27 0.00 -1.03 0.00 0.00 55.69 53.96 2oul s MET 90 Cb -0.14 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 2oul s MET 90 CO 0.18 -0.53 0.87 1.03 -2.03 0.00 0.00 175.02 174.54 2oul s ARG 91 N -3.81 4.52 0.43 3.16 0.52 -1.26 -2.02 118.95 120.48 2oul s ARG 91 Ca 0.04 1.22 0.17 0.00 -0.52 0.00 0.00 55.73 56.64 2oul s ARG 91 Cb -0.00 -3.45 0.97 0.00 0.52 0.00 0.00 34.95 32.99 2oul s ARG 91 CO -0.09 0.01 1.92 -1.00 0.02 0.00 0.00 175.30 176.16 2oul h PRO 92 N 6.72 0.00 0.00 3.54 0.13 -1.93 -0.66 132.00 139.80 2oul h PRO 92 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2oul h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2oul h PRO 92 CO 0.75 0.26 0.00 -2.67 -0.23 0.00 0.00 178.00 176.11 2oul n TRP 93 N -4.01 0.85 -0.13 1.56 2.14 -1.26 -4.03 117.44 112.57 2oul n TRP 93 Ca -0.02 0.27 -0.19 0.00 2.07 0.00 0.00 57.50 59.63 2oul n TRP 93 Cb 0.33 -0.94 -0.11 0.00 -0.81 0.00 0.00 31.31 29.78 2oul n TRP 93 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2oul n THR 94 N -2.21 1.43 -0.48 -1.67 -1.04 -0.91 -5.12 114.28 104.27 2oul n THR 94 Ca 0.05 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2oul n THR 94 Cb 0.37 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 2oul n THR 94 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oul n GLY 95 N 2.18 -2.26 3.88 3.41 0.00 -0.30 -4.98 105.19 107.12 2oul n GLY 95 Ca -0.45 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 2oul n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oul s PRO 96 N -0.88 3.25 0.38 1.61 0.04 -1.26 -4.61 135.00 133.52 2oul s PRO 96 Ca 0.00 0.58 0.04 0.00 0.04 0.00 0.00 61.00 61.66 2oul s PRO 96 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2oul s PRO 96 CO 0.00 -0.77 0.13 -1.54 0.04 0.00 0.00 177.00 174.87 2oul s SER 97 N -4.26 2.45 0.30 6.66 1.04 -1.26 -5.02 113.70 113.62 2oul s SER 97 Ca 0.56 -1.62 0.01 0.00 0.48 0.00 0.00 55.95 55.38 2oul s SER 97 Cb -0.11 0.42 0.72 0.00 0.10 0.00 0.00 66.02 67.15 2oul s SER 97 CO 0.52 -0.89 1.58 -0.74 0.98 0.00 0.00 173.24 174.69 2oul h HIS 98 N 1.92 -0.05 -0.81 5.02 2.76 -2.05 -2.24 115.15 119.70 2oul h HIS 98 Ca -0.35 0.07 -0.31 0.00 -2.20 0.00 0.00 60.37 57.58 2oul h HIS 98 Cb 1.26 0.18 -0.19 0.00 1.55 0.00 0.00 27.41 30.22 2oul h HIS 98 CO 1.31 -0.41 0.40 -0.25 -1.30 0.00 0.00 177.93 177.68 2oul n ASP 99 N -5.48 4.40 -4.78 3.26 8.00 -1.26 -4.97 116.55 115.73 2oul n ASP 99 Ca 0.22 -3.30 -0.37 0.00 0.71 0.00 0.00 54.79 52.05 2oul n ASP 99 Cb 0.73 -0.77 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 2oul n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2oul s SER 100 N -1.03 6.84 0.09 -2.24 0.01 -0.85 -4.99 113.70 111.54 2oul s SER 100 Ca 0.54 2.06 -0.31 0.00 1.31 0.00 0.00 55.95 59.55 2oul s SER 100 Cb 0.44 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 64.01 2oul s SER 100 CO 0.12 -0.43 1.22 -0.70 0.41 0.00 0.00 173.24 173.87 2oul s GLU 101 N -2.34 4.43 0.07 12.44 2.12 -1.26 -4.92 118.70 129.24 2oul s GLU 101 Ca 0.56 1.83 0.09 0.00 0.36 0.00 0.00 54.97 57.80 2oul s GLU 101 Cb -0.23 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2oul s GLU 101 CO 0.29 -0.25 -0.23 1.03 -0.54 0.00 0.00 175.26 175.56 2oul s ARG 102 N 0.84 1.44 -0.07 4.30 0.52 -1.26 -0.66 118.95 124.05 2oul s ARG 102 Ca 0.58 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 2oul s ARG 102 Cb -0.31 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.49 2oul s ARG 102 CO 0.31 0.42 -0.16 0.12 0.02 0.00 0.00 175.30 176.00 2oul s PHE 103 N -0.92 1.76 -0.03 -0.53 5.36 -0.19 -5.00 117.98 118.43 2oul s PHE 103 Ca 0.10 -0.63 0.03 0.00 -0.96 0.00 0.00 56.93 55.46 2oul s PHE 103 Cb -0.10 -1.23 0.00 0.00 -0.34 0.00 0.00 43.02 41.36 2oul s PHE 103 CO 0.03 -0.27 -0.10 0.99 -1.46 0.00 0.00 175.22 174.41 2oul s THR 104 N 0.42 0.83 0.03 0.12 2.01 -1.26 -0.84 115.64 116.94 2oul s THR 104 Ca -0.12 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2oul s THR 104 Cb -0.15 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 2oul s THR 104 CO 0.04 0.26 -0.12 0.54 -0.69 0.00 0.00 174.62 174.65 2oul s VAL 105 N 0.16 0.94 -0.18 3.82 0.11 -0.90 0.15 120.40 124.49 2oul s VAL 105 Ca -0.03 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.12 2oul s VAL 105 Cb -0.08 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2oul s VAL 105 CO 0.01 0.02 0.05 -0.31 -3.33 0.00 0.00 175.10 171.54 2oul s TYR 106 N -0.73 3.22 -0.33 1.54 1.51 -0.67 -0.93 117.35 120.96 2oul s TYR 106 Ca 0.01 0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 56.02 2oul s TYR 106 Cb -0.07 -2.07 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2oul s TYR 106 CO 0.01 0.11 0.09 -0.51 -1.11 0.00 0.00 175.55 174.14 2oul s LEU 107 N 0.41 4.19 -0.41 -1.29 1.43 -0.06 -0.76 118.68 122.20 2oul s LEU 107 Ca 0.02 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 51.92 2oul s LEU 107 Cb -0.13 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.27 2oul s LEU 107 CO 0.01 -0.30 0.28 -0.75 0.23 0.00 0.00 176.35 175.82 2oul s LYS 108 N 1.41 2.88 -0.14 1.70 2.20 -0.16 -0.20 119.74 127.44 2oul s LYS 108 Ca -0.01 -1.13 -0.02 0.00 -0.36 0.00 0.00 55.97 54.44 2oul s LYS 108 Cb -0.19 -3.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 2oul s LYS 108 CO 0.02 -0.80 -0.06 0.00 -0.36 0.00 0.00 175.35 174.16 2oul s ALA 109 N 1.61 2.92 -2.02 3.13 0.00 -0.47 -1.13 121.76 125.79 2oul s ALA 109 Ca 0.04 -0.84 0.32 0.00 0.00 0.00 0.00 51.96 51.47 2oul s ALA 109 Cb -0.20 -1.43 1.87 0.00 0.00 0.00 0.00 23.12 23.36 2oul s ALA 109 CO 0.08 0.28 2.21 -1.71 0.00 0.00 0.00 175.76 176.62