#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ook n LYS 4 N 0.00 -2.24 -3.55 -0.67 4.81 -1.26 -5.19 118.16 110.06 2ook n LYS 4 Ca 0.00 1.62 -0.34 0.00 -0.87 0.00 0.00 58.31 58.73 2ook n LYS 4 Cb 0.00 -1.80 -0.05 0.00 0.02 0.00 0.00 35.03 33.20 2ook n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2ook s LYS 5 N -3.48 3.76 -0.04 1.64 1.02 -1.26 -5.10 119.74 116.28 2ook s LYS 5 Ca 0.00 0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.18 2ook s LYS 5 Cb 0.00 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2ook s LYS 5 CO 0.00 0.51 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.87 2ook s HIS 6 N -1.49 0.84 -5.00 3.18 3.76 -1.26 -3.77 115.29 111.55 2ook s HIS 6 Ca 0.36 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 2ook s HIS 6 Cb -0.13 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.86 2ook s HIS 6 CO 0.19 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 2ook n GLY 7 N 3.89 0.26 3.25 -2.22 0.00 0.38 -4.97 105.19 105.78 2ook n GLY 7 Ca -0.24 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 2ook n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ook s LEU 8 N 0.00 0.96 0.04 0.99 1.02 -1.26 -0.22 118.68 120.20 2ook s LEU 8 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.81 2ook s LEU 8 Cb 0.00 1.35 -0.02 0.00 0.02 0.00 0.00 46.19 47.54 2ook s LEU 8 CO 0.00 -0.70 -0.09 -0.44 0.02 0.00 0.00 176.35 175.14 2ook s SER 9 N -2.48 1.04 0.00 2.29 0.01 -0.07 -4.99 113.70 109.50 2ook s SER 9 Ca -0.00 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.85 2ook s SER 9 Cb 0.02 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 2ook s SER 9 CO -0.08 -0.10 -0.13 -0.51 0.41 0.00 0.00 173.24 172.83 2ook s ILE 10 N -1.03 1.04 0.19 1.44 2.07 -1.26 -1.65 121.20 122.00 2ook s ILE 10 Ca -0.05 -0.68 -0.05 0.00 -1.41 0.00 0.00 60.65 58.47 2ook s ILE 10 Cb -0.08 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.64 2ook s ILE 10 CO 0.01 0.21 0.33 0.61 -1.91 0.00 0.00 174.94 174.19 2ook n GLY 11 N 2.52 1.96 3.11 1.50 0.00 0.38 -4.98 105.19 109.69 2ook n GLY 11 Ca -0.15 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 2ook n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ook s ILE 12 N -2.58 1.51 0.07 -0.61 1.01 -1.26 -0.03 121.20 119.31 2ook s ILE 12 Ca 0.11 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.14 2ook s ILE 12 Cb -0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2ook s ILE 12 CO 0.08 0.44 -0.24 0.20 0.00 0.00 0.00 174.94 175.41 2ook s ASN 13 N 0.45 2.94 -0.15 3.58 0.02 -0.20 -4.93 114.94 116.65 2ook s ASN 13 Ca -0.15 -0.62 -0.04 0.00 -1.02 0.00 0.00 52.86 51.02 2ook s ASN 13 Cb -0.16 -0.23 -0.03 0.00 0.02 0.00 0.00 41.25 40.85 2ook s ASN 13 CO 0.05 0.19 0.00 -0.60 0.02 0.00 0.00 177.10 176.76 2ook s ARG 14 N -1.52 3.62 -0.04 -0.60 3.52 -1.26 -0.37 118.95 122.31 2ook s ARG 14 Ca 0.10 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 2ook s ARG 14 Cb -0.10 -2.98 0.03 0.00 -1.56 0.00 0.00 34.95 30.34 2ook s ARG 14 CO 0.03 0.35 -0.01 0.42 -0.81 0.00 0.00 175.30 175.29 2ook s ILE 15 N 0.09 0.31 -1.31 4.11 1.01 -0.14 -4.85 121.20 120.41 2ook s ILE 15 Ca 0.02 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2ook s ILE 15 Cb -0.13 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.94 2ook s ILE 15 CO 0.02 0.20 0.51 -0.62 0.00 0.00 0.00 174.94 175.05 2ook n GLU 16 N 4.43 -1.50 -0.80 2.79 -0.58 -1.26 -1.10 120.64 122.62 2ook n GLU 16 Ca -0.20 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2ook n GLU 16 Cb 0.50 -3.70 0.00 0.00 -0.57 0.00 0.00 31.44 27.67 2ook n GLU 16 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2ook n SER 17 N -2.66 -1.38 -4.34 1.62 7.64 -1.26 -4.98 113.62 108.26 2ook n SER 17 Ca -0.20 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.35 2ook n SER 17 Cb 0.63 -1.66 -0.15 0.00 -1.01 0.00 0.00 64.21 62.02 2ook n SER 17 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ook s VAL 18 N -2.03 2.69 0.02 0.44 1.01 -0.26 -5.10 120.40 117.16 2ook s VAL 18 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2ook s VAL 18 Cb 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 2ook s VAL 18 CO 0.00 0.55 0.58 -0.36 0.00 0.00 0.00 175.10 175.87 2ook s PHE 19 N 0.14 3.72 0.04 5.22 0.08 -1.26 -0.97 117.98 124.95 2ook s PHE 19 Ca -0.09 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.22 2ook s PHE 19 Cb -0.15 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.70 2ook s PHE 19 CO 0.06 0.43 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.43 2ook s PHE 20 N -0.48 0.99 0.32 0.36 0.08 0.51 -4.61 117.98 115.14 2ook s PHE 20 Ca 0.30 -0.37 -0.27 0.00 0.12 0.00 0.00 56.93 56.71 2ook s PHE 20 Cb -0.19 -0.59 -0.10 0.00 -0.57 0.00 0.00 43.02 41.58 2ook s PHE 20 CO 0.18 0.00 0.97 0.08 -0.10 0.00 0.00 175.22 176.35 2ook s VAL 21 N -0.96 4.05 0.04 -0.44 1.01 -0.34 -1.03 120.40 122.73 2ook s VAL 21 Ca -0.02 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.78 2ook s VAL 21 Cb -0.08 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2ook s VAL 21 CO 0.01 0.18 -0.20 -0.89 0.00 0.00 0.00 175.10 174.20 2ook s THR 22 N -1.53 1.64 -0.01 3.92 2.01 0.95 -0.91 115.64 121.72 2ook s THR 22 Ca 0.50 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2ook s THR 22 Cb -0.21 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 70.89 2ook s THR 22 CO 0.27 0.23 0.02 -0.22 -0.69 0.00 0.00 174.62 174.23 2ook s LEU 23 N -1.08 1.50 -0.09 4.42 2.96 0.29 -0.47 118.68 126.21 2ook s LEU 23 Ca 0.07 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2ook s LEU 23 Cb -0.09 -0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.59 2ook s LEU 23 CO 0.01 -0.07 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.11 2ook s LYS 24 N 0.58 1.79 -0.06 1.98 2.20 -0.66 0.56 119.74 126.13 2ook s LYS 24 Ca -0.05 -0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.19 2ook s LYS 24 Cb -0.07 -1.58 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 2ook s LYS 24 CO -0.02 -0.08 -0.17 0.00 -0.36 0.00 0.00 175.35 174.72 2ook s ALA 25 N 1.03 2.51 -0.01 3.13 0.00 -0.84 -0.89 121.76 126.68 2ook s ALA 25 Ca -0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2ook s ALA 25 Cb -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2ook s ALA 25 CO -0.01 0.48 0.07 -1.50 0.00 0.00 0.00 175.76 174.79 2ook s ILE 26 N -0.43 0.04 0.00 0.00 2.07 0.69 -3.29 121.20 120.27 2ook s ILE 26 Ca 0.05 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 2ook s ILE 26 Cb -0.12 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.27 2ook s ILE 26 CO 0.02 -0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.48 2ook n GLY 27 N 2.45 -0.44 3.14 1.50 0.00 -0.47 -0.47 105.19 110.89 2ook n GLY 27 Ca -0.17 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 2ook n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ook s THR 28 N 0.00 2.76 0.01 2.61 2.01 -1.26 0.40 115.64 122.17 2ook s THR 28 Ca 0.00 -1.50 -0.23 0.00 0.31 0.00 0.00 61.69 60.27 2ook s THR 28 Cb 0.00 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2ook s THR 28 CO 0.00 -0.12 0.68 -0.76 -0.69 0.00 0.00 174.62 173.73 2ook s LEU 29 N 1.20 4.42 0.55 4.42 1.43 -0.28 -4.92 118.68 125.50 2ook s LEU 29 Ca -0.05 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2ook s LEU 29 Cb -0.20 -3.07 0.04 0.00 0.03 0.00 0.00 46.19 43.00 2ook s LEU 29 CO -0.02 0.05 0.45 0.42 0.23 0.00 0.00 176.35 177.47 2ook s THR 30 N -0.05 1.70 0.13 5.49 -4.23 -1.26 -3.64 115.64 113.77 2ook s THR 30 Ca 0.35 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 2ook s THR 30 Cb -0.19 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2ook s THR 30 CO 0.20 0.00 1.50 -0.74 -0.54 0.00 0.00 174.62 175.04 2ook h HIS 31 N 0.68 0.94 -0.65 3.99 2.76 -1.99 -2.02 115.15 118.86 2ook h HIS 31 Ca -0.36 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 57.59 2ook h HIS 31 Cb 1.30 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 30.01 2ook h HIS 31 CO 0.92 0.99 0.42 1.49 -1.30 0.00 0.00 177.93 180.45 2ook h GLU 32 N 0.62 0.82 -0.94 5.26 4.81 -1.99 -1.89 114.58 121.27 2ook h GLU 32 Ca 0.09 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2ook h GLU 32 Cb 0.74 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 2ook h GLU 32 CO 0.06 0.54 0.61 -0.44 -0.73 0.00 0.00 179.01 179.05 2ook h ASP 33 N 0.85 0.95 -0.51 1.04 3.32 -1.86 -1.26 116.42 118.95 2ook h ASP 33 Ca 0.25 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2ook h ASP 33 Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2ook h ASP 33 CO -0.08 0.61 0.15 0.22 -1.72 0.00 0.00 179.24 178.43 2ook h TYR 34 N 1.08 0.82 -0.63 4.55 5.03 -0.69 0.26 116.97 127.39 2ook h TYR 34 Ca 0.40 -0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.56 2ook h TYR 34 Cb 0.19 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 2ook h TYR 34 CO -0.00 0.71 0.11 -0.07 -1.32 0.00 0.00 178.16 177.59 2ook h LEU 35 N 0.69 0.99 0.09 2.82 3.38 -0.57 -2.59 115.31 120.12 2ook h LEU 35 Ca 0.16 -0.26 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 2ook h LEU 35 Cb 0.28 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.79 2ook h LEU 35 CO -0.00 1.00 -1.22 0.58 0.09 0.00 0.00 178.44 178.88 2ook h VAL 36 N 0.95 1.33 0.06 1.22 2.07 -1.22 -3.41 116.25 117.25 2ook h VAL 36 Ca 0.19 -2.55 -0.35 0.00 0.82 0.00 0.00 66.70 64.81 2ook h VAL 36 Cb 0.42 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 2ook h VAL 36 CO 0.01 0.77 -2.02 -0.38 0.02 0.00 0.00 177.57 175.97 2ook n ILE 37 N -3.75 1.66 0.11 4.57 5.41 0.07 -4.52 119.36 122.92 2ook n ILE 37 Ca -0.12 -0.70 -0.02 0.00 1.00 0.00 0.00 62.75 62.90 2ook n ILE 37 Cb 0.98 -1.38 0.20 0.00 -0.71 0.00 0.00 39.64 38.73 2ook n ILE 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2ook h THR 38 N 0.03 1.36 0.00 1.39 1.35 -1.63 -2.58 112.91 112.84 2ook h THR 38 Ca -0.42 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 2ook h THR 38 Cb 2.03 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 2ook h THR 38 CO 0.06 0.52 0.00 -2.65 -0.25 0.00 0.00 175.52 173.20 2ook n PRO 39 N -3.93 0.01 0.00 4.72 -0.02 -1.26 -1.19 135.00 133.32 2ook n PRO 39 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2ook n PRO 39 Cb 0.55 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 2ook n PRO 39 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ook n LEU 41 N 0.82 0.00 -0.26 2.45 4.77 -0.97 -0.87 117.00 122.94 2ook n LEU 41 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2ook n LEU 41 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2ook n LEU 41 CO 0.00 0.00 1.13 -0.33 -1.33 0.00 0.00 177.39 176.86 2ook h GLU 42 N 0.00 0.98 -0.51 3.23 5.08 -1.45 -0.74 114.58 121.17 2ook h GLU 42 Ca 0.00 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2ook h GLU 42 Cb 0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2ook h GLU 42 CO 0.00 0.70 0.11 0.78 -1.00 0.00 0.00 179.01 179.60 2ook h GLY 43 N 0.98 0.85 0.46 -3.84 0.00 -1.25 -1.73 103.07 98.54 2ook h GLY 43 Ca 0.26 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2ook h GLY 43 CO -0.05 0.46 -0.09 0.00 0.00 0.00 0.00 176.54 176.86 2ook h ALA 44 N 1.36 -0.25 -0.03 3.60 0.00 -1.79 -3.34 119.26 118.80 2ook h ALA 44 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ook h ALA 44 Cb 0.30 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ook h ALA 44 CO 0.00 -0.37 -0.23 1.25 0.00 0.00 0.00 179.25 179.90 2ook h LEU 45 N -0.80 0.05 0.00 0.00 5.85 -1.02 -1.12 115.31 118.28 2ook h LEU 45 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2ook h LEU 45 Cb 0.52 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2ook h LEU 45 CO 0.04 0.28 0.00 -1.54 -0.34 0.00 0.00 178.44 176.89 2ook n SER 46 N -4.25 0.00 -0.81 1.25 3.41 -0.66 -1.97 113.62 110.59 2ook n SER 46 Ca -0.02 0.37 0.08 0.00 -0.26 0.00 0.00 58.87 59.04 2ook n SER 46 Cb 0.30 -0.43 0.15 0.00 -0.26 0.00 0.00 64.21 63.97 2ook n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ook n GLN 47 N -1.43 2.07 -2.95 4.33 1.13 -0.42 -4.20 117.38 115.91 2ook n GLN 47 Ca 0.04 -1.91 -0.42 0.00 -1.94 0.00 0.00 57.00 52.77 2ook n GLN 47 Cb 0.13 -1.36 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 2ook n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ook s VAL 48 N -1.19 4.79 -0.51 5.09 1.01 -0.83 -5.00 120.40 123.76 2ook s VAL 48 Ca 0.27 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.42 2ook s VAL 48 Cb 0.16 -4.15 0.18 0.00 0.00 0.00 0.00 36.38 32.56 2ook s VAL 48 CO 0.22 -0.28 0.41 -0.67 0.00 0.00 0.00 175.10 174.78 2ook n ASP 49 N 6.23 0.75 -4.59 3.32 2.03 -1.26 -3.23 116.55 119.80 2ook n ASP 49 Ca 0.03 -2.68 -0.27 0.00 0.52 0.00 0.00 54.79 52.39 2ook n ASP 49 Cb 0.48 -0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 40.17 2ook n ASP 49 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2ook s GLN 50 N -0.55 2.15 0.13 -0.67 -1.52 -1.26 -5.05 119.66 112.90 2ook s GLN 50 Ca 0.31 -1.18 -0.22 0.00 -1.95 0.00 0.00 55.36 52.32 2ook s GLN 50 Cb 0.02 -2.23 -0.01 0.00 -0.22 0.00 0.00 33.01 30.57 2ook s GLN 50 CO -0.18 0.45 1.67 -1.35 -0.25 0.00 0.00 175.29 175.63 2ook h PRO 51 N 2.99 -0.15 -4.06 2.91 0.11 -2.01 -3.41 132.00 128.38 2ook h PRO 51 Ca -0.47 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 2ook h PRO 51 Cb 1.20 0.03 -0.27 0.00 0.11 0.00 0.00 31.00 32.07 2ook h PRO 51 CO 0.55 -0.10 -0.73 -1.59 -0.21 0.00 0.00 178.00 175.92 2ook s LYS 52 N -6.16 0.25 -0.06 1.05 0.00 -1.26 -5.12 119.74 108.44 2ook s LYS 52 Ca -0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 55.97 55.51 2ook s LYS 52 Cb 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 37.83 37.78 2ook s LYS 52 CO 0.68 0.05 0.31 0.54 0.00 0.00 0.00 175.35 176.92 2ook s VAL 53 N -0.30 0.03 0.33 1.79 0.11 -1.26 -5.01 120.40 116.10 2ook s VAL 53 Ca -0.01 -0.26 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 2ook s VAL 53 Cb -0.03 -0.53 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 2ook s VAL 53 CO -0.00 -0.14 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.17 2ook s SER 54 N -0.61 3.07 -0.03 3.54 0.01 -1.26 -0.98 113.70 117.44 2ook s SER 54 Ca -0.07 -1.29 0.03 0.00 1.31 0.00 0.00 55.95 55.93 2ook s SER 54 Cb -0.04 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2ook s SER 54 CO 0.02 -0.42 -0.09 -0.22 0.41 0.00 0.00 173.24 172.94 2ook s LEU 55 N -3.55 1.79 -0.28 2.44 0.20 -0.27 -1.20 118.68 117.81 2ook s LEU 55 Ca 0.33 -0.19 -0.08 0.00 0.69 0.00 0.00 54.13 54.88 2ook s LEU 55 Cb 0.07 -0.56 -0.01 0.00 -0.43 0.00 0.00 46.19 45.25 2ook s LEU 55 CO 0.15 0.07 0.11 0.12 -0.29 0.00 0.00 176.35 176.51 2ook s PHE 56 N 0.20 3.14 -0.35 5.38 5.36 -0.08 -0.94 117.98 130.67 2ook s PHE 56 Ca -0.03 -0.55 -0.07 0.00 -0.96 0.00 0.00 56.93 55.32 2ook s PHE 56 Cb -0.09 -2.30 0.04 0.00 -0.34 0.00 0.00 43.02 40.34 2ook s PHE 56 CO 0.01 -0.43 0.14 -1.17 -1.46 0.00 0.00 175.22 172.31 2ook s LEU 57 N 1.60 4.48 -0.62 6.12 2.96 0.58 -0.54 118.68 133.26 2ook s LEU 57 Ca 0.05 -1.17 -0.21 0.00 -0.22 0.00 0.00 54.13 52.57 2ook s LEU 57 Cb -0.16 -1.90 0.08 0.00 0.50 0.00 0.00 46.19 44.70 2ook s LEU 57 CO 0.05 -0.36 0.85 -0.62 -1.32 0.00 0.00 176.35 174.95 2ook s ASP 58 N 1.50 6.19 -0.12 3.68 -1.08 0.19 -0.76 116.67 126.28 2ook s ASP 58 Ca -0.00 -1.09 0.15 0.00 -0.52 0.00 0.00 52.55 51.08 2ook s ASP 58 Cb -0.20 -2.37 0.45 0.00 -1.46 0.00 0.00 42.92 39.34 2ook s ASP 58 CO 0.03 -1.28 1.36 0.00 0.52 0.00 0.00 175.17 175.80 2ook n ALA 59 N 7.13 2.71 -0.13 3.66 0.00 -0.59 -1.98 120.51 131.30 2ook n ALA 59 Ca -0.06 -1.92 0.21 0.00 0.00 0.00 0.00 53.44 51.68 2ook n ALA 59 Cb 0.45 -0.61 0.63 0.00 0.00 0.00 0.00 19.45 19.91 2ook n ALA 59 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2ook h THR 60 N 1.82 0.68 -0.51 0.00 1.35 -1.79 -1.97 112.91 112.50 2ook h THR 60 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2ook h THR 60 Cb 1.20 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2ook h THR 60 CO 0.15 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 174.83 2ook n GLU 61 N -4.39 3.00 -3.06 4.72 1.02 -1.26 -4.87 120.64 115.80 2ook n GLU 61 Ca 0.15 -2.46 -0.40 0.00 -0.02 0.00 0.00 57.16 54.43 2ook n GLU 61 Cb 0.71 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 2ook n GLU 61 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2ook s LEU 62 N -1.32 4.21 -0.10 -4.62 2.96 -0.74 -1.37 118.68 117.70 2ook s LEU 62 Ca 0.38 1.02 -0.23 0.00 -0.22 0.00 0.00 54.13 55.07 2ook s LEU 62 Cb 0.22 -3.01 -0.28 0.00 0.50 0.00 0.00 46.19 43.62 2ook s LEU 62 CO 0.22 -0.24 0.72 0.44 -1.32 0.00 0.00 176.35 176.17 2ook h ASP 63 N 7.18 0.26 0.00 3.68 3.32 -0.38 -3.46 116.42 127.02 2ook h ASP 63 Ca -0.34 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 55.80 2ook h ASP 63 Cb 1.16 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2ook h ASP 63 CO 0.78 1.32 0.00 0.61 -1.72 0.00 0.00 179.24 180.23 2ook n GLY 64 N 1.64 0.39 3.64 2.75 0.00 -1.09 -4.65 105.19 107.88 2ook n GLY 64 Ca -0.17 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 2ook n GLY 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ook s TRP 65 N -3.76 0.34 0.65 1.61 -2.14 -1.26 -1.12 118.94 113.26 2ook s TRP 65 Ca 0.00 -0.73 -0.14 0.00 2.66 0.00 0.00 56.10 57.89 2ook s TRP 65 Cb 0.00 0.29 -0.01 0.00 -3.10 0.00 0.00 33.47 30.66 2ook s TRP 65 CO 0.00 -1.10 1.07 -0.51 -2.66 0.00 0.00 176.95 173.76 2ook s ASP 66 N -3.03 5.39 0.14 -2.66 1.01 -1.24 -4.92 116.67 111.36 2ook s ASP 66 Ca 0.21 1.82 -0.34 0.00 0.71 0.00 0.00 52.55 54.95 2ook s ASP 66 Cb -0.02 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.25 2ook s ASP 66 CO 0.10 -1.44 1.60 -0.11 0.21 0.00 0.00 175.17 175.53 2ook n LEU 67 N -2.53 3.10 -2.30 1.23 7.94 -1.26 -1.62 117.00 121.57 2ook n LEU 67 Ca 0.09 1.08 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 2ook n LEU 67 Cb 0.53 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 43.04 2ook n LEU 67 CO 0.50 -0.28 -0.15 0.54 -1.11 0.00 0.00 177.39 176.88 2ook n ARG 68 N 3.63 -2.09 -0.99 1.96 3.00 -1.26 -4.96 116.66 115.95 2ook n ARG 68 Ca 0.17 0.62 -0.31 0.00 -0.01 0.00 0.00 57.85 58.33 2ook n ARG 68 Cb 0.29 -5.17 0.14 0.00 0.00 0.00 0.00 32.46 27.72 2ook n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ook s ALA 69 N -2.54 1.64 0.62 7.54 0.00 -0.64 -4.89 121.76 123.48 2ook s ALA 69 Ca 0.00 0.29 0.31 0.00 0.00 0.00 0.00 51.96 52.56 2ook s ALA 69 Cb 0.00 -3.32 1.70 0.00 0.00 0.00 0.00 23.12 21.50 2ook s ALA 69 CO 0.00 -2.39 2.04 0.00 0.00 0.00 0.00 175.76 175.41 2ook h ALA 70 N -1.59 1.68 -0.45 0.00 0.00 -1.93 -1.64 119.26 115.34 2ook h ALA 70 Ca -0.46 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2ook h ALA 70 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2ook h ALA 70 CO 0.48 -0.36 0.30 -1.49 0.00 0.00 0.00 179.25 178.19 2ook h TRP 71 N 0.00 0.34 -0.96 0.00 4.06 -1.94 -2.11 115.95 115.35 2ook h TRP 71 Ca 0.08 0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.17 2ook h TRP 71 Cb 0.62 -0.11 -0.08 0.00 -1.00 0.00 0.00 29.16 28.59 2ook h TRP 71 CO 0.00 0.18 0.61 -0.44 -3.56 0.00 0.00 178.44 175.23 2ook h ASP 72 N 0.34 0.83 -0.59 -3.49 3.32 -1.65 -2.90 116.42 112.28 2ook h ASP 72 Ca 0.20 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2ook h ASP 72 Cb 0.34 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2ook h ASP 72 CO -0.05 0.43 0.00 0.47 -1.72 0.00 0.00 179.24 178.37 2ook n ASP 73 N -4.60 3.82 -4.77 6.45 8.00 -0.80 -4.87 116.55 119.78 2ook n ASP 73 Ca 0.19 -2.13 -0.41 0.00 0.71 0.00 0.00 54.79 53.14 2ook n ASP 73 Cb 0.40 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2ook n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ook s LEU 74 N -1.24 4.34 -0.12 0.64 2.96 -1.10 -5.01 118.68 119.15 2ook s LEU 74 Ca 0.42 2.95 0.01 0.00 -0.22 0.00 0.00 54.13 57.28 2ook s LEU 74 Cb 0.24 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 43.29 2ook s LEU 74 CO 0.26 -0.82 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.80 2ook s LYS 75 N -1.56 2.05 -0.37 1.98 -0.14 -1.26 -4.00 119.74 116.44 2ook s LYS 75 Ca 0.55 -0.47 -0.04 0.00 -1.36 0.00 0.00 55.97 54.65 2ook s LYS 75 Cb -0.46 -1.88 0.08 0.00 -1.68 0.00 0.00 37.83 33.90 2ook s LYS 75 CO 0.57 -0.18 0.15 -0.51 -0.76 0.00 0.00 175.35 174.61 2ook s LEU 76 N 1.37 4.75 0.38 3.17 1.43 0.52 -5.04 118.68 125.27 2ook s LEU 76 Ca 0.01 -1.62 0.08 0.00 -1.03 0.00 0.00 54.13 51.57 2ook s LEU 76 Cb -0.13 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 2ook s LEU 76 CO -0.07 -0.44 0.03 -0.83 0.23 0.00 0.00 176.35 175.27 2ook s GLY 77 N 1.67 2.31 0.42 -3.19 0.00 -1.26 -4.63 107.32 102.64 2ook s GLY 77 Ca 0.02 -2.14 -0.03 0.00 0.00 0.00 0.00 44.72 42.58 2ook s GLY 77 CO -0.01 -2.00 0.68 1.08 0.00 0.00 0.00 173.10 172.84 2ook s LEU 78 N -3.73 3.80 0.46 0.66 1.43 -1.25 -4.39 118.68 115.65 2ook s LEU 78 Ca 0.36 0.70 0.33 0.00 -1.03 0.00 0.00 54.13 54.49 2ook s LEU 78 Cb 0.05 -3.61 1.47 0.00 0.03 0.00 0.00 46.19 44.12 2ook s LEU 78 CO 0.19 -0.45 1.63 0.07 0.23 0.00 0.00 176.35 178.02 2ook h LYS 79 N 0.46 0.08 -0.20 1.70 2.10 -1.60 -2.04 116.57 117.07 2ook h LYS 79 Ca -0.48 -0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 57.97 2ook h LYS 79 Cb 1.21 -0.02 -0.26 0.00 -0.90 0.00 0.00 32.23 32.27 2ook h LYS 79 CO 0.61 0.05 -0.82 0.72 -2.00 0.00 0.00 179.45 178.02 2ook n HIS 80 N -4.55 0.69 -0.98 0.07 8.25 -1.26 -4.94 115.22 112.50 2ook n HIS 80 Ca 0.37 -1.42 0.00 0.00 -0.26 0.00 0.00 57.72 56.41 2ook n HIS 80 Cb 1.49 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 32.37 2ook n HIS 80 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2ook n LYS 81 N -0.47 -1.05 -1.10 -0.41 4.76 -0.77 -5.00 118.16 114.12 2ook n LYS 81 Ca 0.18 0.26 -0.34 0.00 -2.87 0.00 0.00 58.31 55.54 2ook n LYS 81 Cb 0.90 -4.10 0.11 0.00 -1.84 0.00 0.00 35.03 30.10 2ook n LYS 81 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2ook n SER 82 N -0.53 -0.23 -4.79 4.39 7.64 -1.26 -4.89 113.62 113.95 2ook n SER 82 Ca 0.00 0.54 -0.27 0.00 1.01 0.00 0.00 58.87 60.16 2ook n SER 82 Cb 0.26 -1.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2ook n SER 82 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ook s GLU 83 N -3.59 2.88 0.29 1.43 -1.05 -1.26 -3.97 118.70 113.43 2ook s GLU 83 Ca 0.68 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 54.35 2ook s GLU 83 Cb -0.30 -2.64 -0.10 0.00 -0.44 0.00 0.00 34.13 30.66 2ook s GLU 83 CO 0.56 0.49 1.13 -0.06 0.95 0.00 0.00 175.26 178.33 2ook s PHE 84 N -1.71 3.50 0.01 4.83 0.08 -0.67 -4.70 117.98 119.31 2ook s PHE 84 Ca 0.31 1.66 -0.25 0.00 0.12 0.00 0.00 56.93 58.77 2ook s PHE 84 Cb -0.10 -3.33 -0.17 0.00 -0.57 0.00 0.00 43.02 38.84 2ook s PHE 84 CO 0.23 -0.73 1.28 0.93 -0.10 0.00 0.00 175.22 176.83 2ook h GLU 85 N 3.71 -0.30 -4.95 0.44 5.08 -1.38 0.32 114.58 117.50 2ook h GLU 85 Ca -0.47 0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.54 2ook h GLU 85 Cb 1.21 0.07 -0.24 0.00 0.50 0.00 0.00 28.75 30.29 2ook h GLU 85 CO 0.67 0.02 -0.77 1.03 -1.00 0.00 0.00 179.01 178.96 2ook s ARG 86 N -4.71 0.73 -0.12 2.33 0.52 -1.26 -1.80 118.95 114.64 2ook s ARG 86 Ca -0.14 -0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2ook s ARG 86 Cb 0.02 -0.67 0.03 0.00 0.52 0.00 0.00 34.95 34.86 2ook s ARG 86 CO 0.57 0.16 -0.05 0.08 0.02 0.00 0.00 175.30 176.08 2ook s VAL 87 N -0.92 0.92 -0.26 3.52 1.01 -0.19 -1.11 120.40 123.37 2ook s VAL 87 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2ook s VAL 87 Cb -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2ook s VAL 87 CO 0.01 0.28 0.14 0.00 0.00 0.00 0.00 175.10 175.53 2ook s ALA 88 N 1.74 3.39 -0.33 5.51 0.00 -0.12 -1.33 121.76 130.62 2ook s ALA 88 Ca 0.04 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 2ook s ALA 88 Cb -0.13 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.73 2ook s ALA 88 CO -0.08 -0.46 0.11 0.42 0.00 0.00 0.00 175.76 175.76 2ook s ILE 89 N 1.57 3.97 -0.25 0.00 1.01 -0.08 -0.31 121.20 127.11 2ook s ILE 89 Ca 0.07 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2ook s ILE 89 Cb -0.15 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 2ook s ILE 89 CO 0.07 -0.11 0.24 -0.22 0.00 0.00 0.00 174.94 174.92 2ook s LEU 90 N 1.46 4.07 0.00 2.97 2.96 0.06 -0.44 118.68 129.76 2ook s LEU 90 Ca 0.00 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2ook s LEU 90 Cb -0.19 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2ook s LEU 90 CO 0.03 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 2ook n GLY 91 N 4.59 4.88 3.70 7.98 0.00 0.70 -1.55 105.19 125.49 2ook n GLY 91 Ca -0.13 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 2ook n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ook s ASN 92 N 0.90 3.78 0.24 1.61 0.01 -1.26 -4.49 114.94 115.73 2ook s ASN 92 Ca 0.00 -1.68 -0.06 0.00 -0.71 0.00 0.00 52.86 50.41 2ook s ASN 92 Cb 0.00 0.56 0.28 0.00 0.41 0.00 0.00 41.25 42.50 2ook s ASN 92 CO 0.00 -0.90 1.90 0.50 -1.51 0.00 0.00 177.10 177.09 2ook h LYS 93 N 1.45 1.17 -6.00 -0.60 3.11 -1.94 -3.43 116.57 110.33 2ook h LYS 93 Ca -0.41 -0.07 -0.61 0.00 -2.81 0.00 0.00 60.65 56.75 2ook h LYS 93 Cb 1.31 -0.26 -0.05 0.00 -1.00 0.00 0.00 32.23 32.22 2ook h LYS 93 CO 0.69 0.77 -0.31 -0.51 -2.81 0.00 0.00 179.45 177.29 2ook s ASP 94 N -5.98 6.59 0.45 4.20 1.01 -1.26 -5.07 116.67 116.62 2ook s ASP 94 Ca -0.13 0.70 -0.25 0.00 0.71 0.00 0.00 52.55 53.59 2ook s ASP 94 Cb 0.18 -2.15 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 2ook s ASP 94 CO 0.81 0.23 1.38 0.86 0.21 0.00 0.00 175.17 178.65 2ook s TRP 95 N -1.32 2.54 0.16 4.23 -0.11 -1.26 -5.04 118.94 118.14 2ook s TRP 95 Ca 0.29 1.32 0.08 0.00 1.22 0.00 0.00 56.10 59.02 2ook s TRP 95 Cb -0.14 -3.83 -0.04 0.00 -1.50 0.00 0.00 33.47 27.96 2ook s TRP 95 CO 0.16 -2.69 -0.18 -0.65 -4.62 0.00 0.00 176.95 168.97 2ook s GLN 96 N -2.46 1.25 0.61 5.86 -0.21 -1.26 -5.05 119.66 118.41 2ook s GLN 96 Ca 0.61 -1.38 0.30 0.00 0.02 0.00 0.00 55.36 54.91 2ook s GLN 96 Cb -0.42 -1.32 1.65 0.00 1.00 0.00 0.00 33.01 33.93 2ook s GLN 96 CO 0.53 0.27 2.01 1.05 -2.12 0.00 0.00 175.29 177.03 2ook h GLU 97 N 3.33 0.00 -0.01 2.91 4.11 -1.96 0.03 114.58 122.99 2ook h GLU 97 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2ook h GLU 97 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ook h GLU 97 CO 0.50 0.00 -0.31 -2.67 0.07 0.00 0.00 179.01 176.60 2ook n TRP 98 N -3.49 0.00 -0.17 2.06 4.27 -1.26 -4.56 117.44 114.28 2ook n TRP 98 Ca 0.02 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.62 2ook n TRP 98 Cb 0.42 -0.14 0.07 0.00 -1.36 0.00 0.00 31.31 30.31 2ook n TRP 98 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ook h ALA 99 N 3.56 0.53 -0.18 -1.67 0.00 -1.40 0.21 119.26 120.32 2ook h ALA 99 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ook h ALA 99 Cb 0.51 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ook h ALA 99 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.88 2ook n ALA 100 N -2.67 2.51 -0.05 0.00 0.00 -1.26 -4.27 120.51 114.77 2ook n ALA 100 Ca 0.07 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 2ook n ALA 100 Cb 0.29 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 2ook n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ook n LYS 101 N 0.50 0.87 0.25 0.00 5.02 -0.47 -4.74 118.16 119.58 2ook n LYS 101 Ca 0.17 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2ook n LYS 101 Cb 0.38 -1.20 0.61 0.00 -0.02 0.00 0.00 35.03 34.80 2ook n LYS 101 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2ook h ILE 102 N 0.00 0.46 -0.07 -0.18 2.10 -1.19 -2.37 117.51 116.26 2ook h ILE 102 Ca -0.22 -0.79 -0.01 0.00 1.08 0.00 0.00 64.86 64.92 2ook h ILE 102 Cb 1.37 1.55 -0.01 0.00 -1.09 0.00 0.00 36.82 38.65 2ook h ILE 102 CO -0.02 0.15 -0.01 1.23 -1.08 0.00 0.00 178.15 178.41 2ook h GLY 103 N 1.56 0.11 1.78 8.18 0.00 -1.83 -2.72 103.07 110.15 2ook h GLY 103 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2ook h GLY 103 CO 0.02 0.04 0.00 -1.14 0.00 0.00 0.00 176.54 175.46 2ook n SER 104 N -4.46 0.00 0.17 0.19 3.41 -0.89 -1.56 113.62 110.47 2ook n SER 104 Ca -0.02 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 2ook n SER 104 Cb 0.14 -0.39 0.56 0.00 -0.26 0.00 0.00 64.21 64.26 2ook n SER 104 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2ook h TRP 105 N 0.00 0.00 -4.00 7.33 6.55 -1.61 -3.45 115.95 120.77 2ook h TRP 105 Ca 0.00 0.00 -0.60 0.00 0.95 0.00 0.00 58.89 59.24 2ook h TRP 105 Cb 0.18 0.00 -0.23 0.00 -0.86 0.00 0.00 29.16 28.25 2ook h TRP 105 CO 0.00 0.00 -0.84 -0.06 -1.05 0.00 0.00 178.44 176.49 2ook s PHE 106 N -3.43 1.95 -0.28 0.49 0.08 -0.60 -0.36 117.98 115.83 2ook s PHE 106 Ca 0.03 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 2ook s PHE 106 Cb 0.09 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 2ook s PHE 106 CO 0.40 0.21 0.11 0.42 -0.10 0.00 0.00 175.22 176.25 2ook s ILE 107 N -1.04 4.41 0.00 0.64 1.01 -1.26 -5.04 121.20 119.92 2ook s ILE 107 Ca 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2ook s ILE 107 Cb -0.10 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2ook s ILE 107 CO 0.04 0.20 0.02 0.00 0.00 0.00 0.00 174.94 175.20 2ook s ALA 108 N 1.60 -0.04 0.19 9.38 0.00 -1.26 -1.68 121.76 129.96 2ook s ALA 108 Ca 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 2ook s ALA 108 Cb -0.16 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.15 2ook s ALA 108 CO 0.05 -0.10 1.81 0.78 0.00 0.00 0.00 175.76 178.30 2ook h GLY 109 N 5.23 0.82 -5.02 0.00 0.00 -0.23 -3.44 103.07 100.42 2ook h GLY 109 Ca -0.28 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 2ook h GLY 109 CO 0.44 0.19 -0.39 1.85 0.00 0.00 0.00 176.54 178.64 2ook s GLU 110 N -6.13 0.44 -0.08 4.80 2.12 -0.74 -5.01 118.70 114.09 2ook s GLU 110 Ca -0.13 0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.33 2ook s GLU 110 Cb 0.14 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.73 2ook s GLU 110 CO 0.75 -0.09 -0.22 0.42 -0.54 0.00 0.00 175.26 175.58 2ook s ILE 111 N -0.52 1.85 0.02 -3.70 1.01 -1.26 -1.02 121.20 117.58 2ook s ILE 111 Ca -0.06 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2ook s ILE 111 Cb -0.04 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2ook s ILE 111 CO 0.02 0.52 -0.10 -0.75 0.00 0.00 0.00 174.94 174.62 2ook s LYS 112 N 0.20 0.71 -0.04 2.79 2.20 -0.44 -4.97 119.74 120.19 2ook s LYS 112 Ca -0.12 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 2ook s LYS 112 Cb -0.16 -0.65 -0.03 0.00 -1.51 0.00 0.00 37.83 35.49 2ook s LYS 112 CO 0.06 0.16 -0.05 0.71 -0.36 0.00 0.00 175.35 175.87 2ook s TYR 113 N -0.71 2.95 0.12 4.03 1.51 -1.26 -0.91 117.35 123.09 2ook s TYR 113 Ca -0.01 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2ook s TYR 113 Cb -0.06 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2ook s TYR 113 CO 0.00 0.37 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.72 2ook s PHE 114 N -0.92 0.98 -0.23 2.71 0.40 0.42 -4.92 117.98 116.42 2ook s PHE 114 Ca 0.15 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.54 2ook s PHE 114 Cb -0.11 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.85 2ook s PHE 114 CO 0.05 -0.20 0.32 -0.85 0.70 0.00 0.00 175.22 175.24 2ook n GLU 115 N -0.10 3.29 -3.98 0.44 0.28 -1.26 -0.22 120.64 119.09 2ook n GLU 115 Ca -0.10 -0.29 -0.24 0.00 -0.16 0.00 0.00 57.16 56.37 2ook n GLU 115 Cb 0.62 -0.81 -0.17 0.00 1.43 0.00 0.00 31.44 32.51 2ook n GLU 115 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ook s ASP 116 N -0.83 1.75 0.24 -1.84 -1.08 -1.26 -4.79 116.67 108.85 2ook s ASP 116 Ca 0.02 -0.20 -0.06 0.00 -0.52 0.00 0.00 52.55 51.78 2ook s ASP 116 Cb 0.02 -0.65 0.31 0.00 -1.46 0.00 0.00 42.92 41.14 2ook s ASP 116 CO 0.08 -0.12 1.85 -0.08 0.52 0.00 0.00 175.17 177.42 2ook h GLU 117 N 7.94 0.91 -0.59 4.34 4.81 -1.95 -2.34 114.58 127.70 2ook h GLU 117 Ca -0.28 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.95 2ook h GLU 117 Cb 1.14 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 2ook h GLU 117 CO 0.38 0.61 0.31 -0.44 -0.73 0.00 0.00 179.01 179.13 2ook h ASP 118 N 0.94 0.44 -0.51 1.04 5.19 -1.99 -0.68 116.42 120.84 2ook h ASP 118 Ca 0.36 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.76 2ook h ASP 118 Cb 0.15 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 2ook h ASP 118 CO -0.17 0.29 0.14 0.44 -3.12 0.00 0.00 179.24 176.82 2ook h ASP 119 N 0.58 0.77 -0.37 6.45 3.32 -1.90 -0.63 116.42 124.64 2ook h ASP 119 Ca 0.27 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2ook h ASP 119 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2ook h ASP 119 CO -0.18 0.80 0.17 0.00 -1.72 0.00 0.00 179.24 178.31 2ook h ALA 120 N 1.01 0.45 -0.37 3.45 0.00 -0.85 -1.53 119.26 121.42 2ook h ALA 120 Ca 0.16 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2ook h ALA 120 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ook h ALA 120 CO -0.00 -0.20 -0.34 -0.07 0.00 0.00 0.00 179.25 178.64 2ook h LEU 121 N 0.36 0.89 -0.55 0.00 3.38 -0.98 -2.01 115.31 116.39 2ook h LEU 121 Ca 0.16 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2ook h LEU 121 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2ook h LEU 121 CO -0.13 1.14 0.31 0.50 0.09 0.00 0.00 178.44 180.36 2ook h LYS 122 N 0.70 0.76 -0.74 1.13 3.64 -0.92 -0.66 116.57 120.48 2ook h LYS 122 Ca 0.07 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2ook h LYS 122 Cb 0.90 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2ook h LYS 122 CO 0.08 0.57 0.30 2.35 -2.27 0.00 0.00 179.45 180.48 2ook h TRP 123 N 0.74 1.13 -0.54 1.91 7.01 -1.15 -0.90 115.95 124.15 2ook h TRP 123 Ca 0.20 -0.09 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 2ook h TRP 123 Cb 0.02 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 2ook h TRP 123 CO -0.02 0.86 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.31 2ook h LEU 124 N 1.07 1.03 0.08 0.65 3.38 -1.20 -3.33 115.31 116.98 2ook h LEU 124 Ca 0.25 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 2ook h LEU 124 Cb 0.21 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.70 2ook h LEU 124 CO -0.02 1.14 -0.81 -0.09 0.09 0.00 0.00 178.44 178.75 2ook h ARG 125 N 0.91 0.41 -0.01 1.13 9.65 -0.77 -3.50 114.38 122.20 2ook h ARG 125 Ca 0.14 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2ook h ARG 125 Cb 0.68 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2ook h ARG 125 CO 0.05 1.21 0.00 0.66 2.80 0.00 0.00 179.97 184.69