#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm7 s SER 2 N 0.00 -0.21 -0.23 1.61 0.15 -1.26 -5.05 113.70 108.71 2dm7 s SER 2 Ca 0.00 0.36 0.11 0.00 0.70 0.00 0.00 55.95 57.13 2dm7 s SER 2 Cb 0.00 0.44 0.44 0.00 -1.71 0.00 0.00 66.02 65.19 2dm7 s SER 2 CO 0.00 -0.15 1.20 -1.54 1.20 0.00 0.00 173.24 173.95 2dm7 n SER 3 N 2.61 2.86 -3.45 5.45 3.41 -1.26 -4.88 113.62 118.35 2dm7 n SER 3 Ca -0.15 -3.60 -0.27 0.00 -0.26 0.00 0.00 58.87 54.60 2dm7 n SER 3 Cb 0.58 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 2dm7 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm7 n GLY 4 N -0.81 2.75 0.10 5.00 0.00 -1.26 -4.94 105.19 106.03 2dm7 n GLY 4 Ca 0.27 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 2dm7 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dm7 h SER 5 N 5.23 0.08 0.00 1.61 0.02 -2.01 -3.42 113.55 115.07 2dm7 h SER 5 Ca 0.21 -0.69 -0.19 0.00 -0.84 0.00 0.00 61.79 60.28 2dm7 h SER 5 Cb 0.86 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 2dm7 h SER 5 CO 0.48 1.42 -1.36 -0.24 -1.14 0.00 0.00 176.83 175.99 2dm7 n SER 6 N -4.34 1.89 0.00 3.07 2.88 -1.26 -5.09 113.62 110.77 2dm7 n SER 6 Ca -0.26 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2dm7 n SER 6 Cb 0.69 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2dm7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm7 n GLY 7 N 1.44 1.47 3.77 0.46 0.00 -1.26 -5.10 105.19 105.97 2dm7 n GLY 7 Ca -0.28 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 2dm7 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm7 s PRO 8 N 0.00 2.92 0.29 1.61 0.04 -1.26 -4.96 135.00 133.63 2dm7 s PRO 8 Ca 0.00 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 2dm7 s PRO 8 Cb 0.00 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 2dm7 s PRO 8 CO 0.00 -1.16 1.58 0.00 0.04 0.00 0.00 177.00 177.45 2dm7 s ALA 9 N -2.22 3.73 0.10 8.56 0.00 -1.26 -4.90 121.76 125.77 2dm7 s ALA 9 Ca 0.68 1.54 0.10 0.00 0.00 0.00 0.00 51.96 54.29 2dm7 s ALA 9 Cb -0.21 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 2dm7 s ALA 9 CO 0.38 -0.96 -0.26 -0.98 0.00 0.00 0.00 175.76 173.95 2dm7 s ARG 10 N -0.49 1.60 0.43 0.00 1.70 -1.26 -4.39 118.95 116.53 2dm7 s ARG 10 Ca 0.63 -1.24 -0.25 0.00 -0.47 0.00 0.00 55.73 54.40 2dm7 s ARG 10 Cb -0.47 -1.96 -0.08 0.00 -0.57 0.00 0.00 34.95 31.87 2dm7 s ARG 10 CO 0.47 0.48 1.31 -0.06 -1.08 0.00 0.00 175.30 176.43 2dm7 s PHE 11 N -0.97 2.72 -0.04 5.89 0.08 -1.26 0.09 117.98 124.48 2dm7 s PHE 11 Ca 0.14 1.40 0.05 0.00 0.12 0.00 0.00 56.93 58.63 2dm7 s PHE 11 Cb -0.10 -3.69 -0.06 0.00 -0.57 0.00 0.00 43.02 38.59 2dm7 s PHE 11 CO 0.05 -2.24 0.03 0.25 -0.10 0.00 0.00 175.22 173.21 2dm7 n THR 12 N -0.08 0.29 -3.89 0.64 -2.24 -1.16 -4.77 114.28 103.07 2dm7 n THR 12 Ca 0.05 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 2dm7 n THR 12 Cb 0.44 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 2dm7 n THR 12 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2dm7 s GLN 13 N -2.15 1.31 -0.23 -0.78 -0.21 -1.25 -5.02 119.66 111.33 2dm7 s GLN 13 Ca -0.02 -1.08 -0.41 0.00 0.02 0.00 0.00 55.36 53.87 2dm7 s GLN 13 Cb 0.02 -2.51 -0.19 0.00 1.00 0.00 0.00 33.01 31.33 2dm7 s GLN 13 CO 0.20 -0.73 1.25 -0.25 -2.12 0.00 0.00 175.29 173.64 2dm7 n ASP 14 N 4.68 0.54 -4.76 5.90 8.00 -1.26 -3.66 116.55 125.99 2dm7 n ASP 14 Ca -0.07 1.11 -0.39 0.00 0.71 0.00 0.00 54.79 56.14 2dm7 n ASP 14 Cb 0.44 -0.85 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 2dm7 n ASP 14 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dm7 s LEU 15 N 1.35 3.97 0.22 0.64 0.20 -1.26 -4.91 118.68 118.89 2dm7 s LEU 15 Ca 0.92 2.87 0.00 0.00 0.69 0.00 0.00 54.13 58.61 2dm7 s LEU 15 Cb -1.30 -4.11 -0.05 0.00 -0.43 0.00 0.00 46.19 40.30 2dm7 s LEU 15 CO 0.65 -1.42 0.11 -0.54 -0.29 0.00 0.00 176.35 174.86 2dm7 s LYS 16 N -2.70 1.28 0.36 1.98 -0.14 -1.12 -4.67 119.74 114.74 2dm7 s LYS 16 Ca 0.67 -1.68 0.07 0.00 -1.36 0.00 0.00 55.97 53.66 2dm7 s LYS 16 Cb -0.43 0.02 -0.03 0.00 -1.68 0.00 0.00 37.83 35.71 2dm7 s LYS 16 CO 0.53 -0.34 0.25 -0.08 -0.76 0.00 0.00 175.35 174.95 2dm7 s THR 17 N -3.96 0.13 0.33 2.17 -1.32 -1.26 -2.99 115.64 108.74 2dm7 s THR 17 Ca 0.38 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.91 2dm7 s THR 17 Cb 0.07 -2.44 -0.07 0.00 -1.51 0.00 0.00 72.50 68.56 2dm7 s THR 17 CO 0.12 0.00 0.01 -1.59 -2.21 0.00 0.00 174.62 170.95 2dm7 s LYS 18 N -3.47 1.70 -0.13 7.08 0.00 -1.26 -5.00 119.74 118.65 2dm7 s LYS 18 Ca 0.36 -1.93 -0.04 0.00 0.00 0.00 0.00 55.97 54.36 2dm7 s LYS 18 Cb 0.02 -1.16 -0.03 0.00 0.00 0.00 0.00 37.83 36.66 2dm7 s LYS 18 CO 0.25 -0.08 0.00 -1.83 0.00 0.00 0.00 175.35 173.69 2dm7 s GLU 19 N -3.79 3.49 0.19 1.78 1.03 -1.26 -3.52 118.70 116.61 2dm7 s GLU 19 Ca 0.34 -0.43 -0.06 0.00 0.03 0.00 0.00 54.97 54.85 2dm7 s GLU 19 Cb 0.07 -2.94 -0.02 0.00 -0.80 0.00 0.00 34.13 30.44 2dm7 s GLU 19 CO 0.15 0.43 0.24 0.00 -1.33 0.00 0.00 175.26 174.75 2dm7 s ALA 20 N -0.12 0.50 0.17 -0.84 0.00 -0.82 -5.01 121.76 115.64 2dm7 s ALA 20 Ca 0.04 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 2dm7 s ALA 20 Cb -0.13 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 2dm7 s ALA 20 CO 0.02 -0.65 0.36 -1.12 0.00 0.00 0.00 175.76 174.37 2dm7 s SER 21 N -3.06 6.41 0.05 0.00 0.01 -1.26 -1.10 113.70 114.74 2dm7 s SER 21 Ca 0.28 0.42 -0.36 0.00 1.31 0.00 0.00 55.95 57.59 2dm7 s SER 21 Cb 0.04 -2.02 -0.19 0.00 0.21 0.00 0.00 66.02 64.06 2dm7 s SER 21 CO 0.07 0.01 0.92 -0.62 0.41 0.00 0.00 173.24 174.03 2dm7 n GLU 22 N -0.35 0.00 0.00 12.44 1.02 0.71 -0.23 120.64 134.23 2dm7 n GLU 22 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2dm7 n GLU 22 Cb 0.53 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2dm7 n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm7 n GLY 23 N 1.59 2.75 1.59 0.62 0.00 0.13 -4.88 105.19 106.99 2dm7 n GLY 23 Ca 0.19 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 2dm7 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm7 n ALA 24 N 0.00 -2.56 -3.78 4.61 0.00 0.68 -3.38 120.51 116.09 2dm7 n ALA 24 Ca 0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 53.44 52.42 2dm7 n ALA 24 Cb 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 19.45 19.21 2dm7 n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dm7 s THR 25 N -1.58 0.88 0.83 0.00 2.01 -1.26 -1.29 115.64 115.23 2dm7 s THR 25 Ca 0.33 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2dm7 s THR 25 Cb -0.06 -0.91 0.11 0.00 0.01 0.00 0.00 72.50 71.65 2dm7 s THR 25 CO 0.28 0.33 1.18 0.00 -0.69 0.00 0.00 174.62 175.72 2dm7 s ALA 26 N 1.48 2.66 -0.27 7.40 0.00 -1.21 -4.87 121.76 126.96 2dm7 s ALA 26 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2dm7 s ALA 26 Cb -0.13 -2.83 0.16 0.00 0.00 0.00 0.00 23.12 20.31 2dm7 s ALA 26 CO -0.05 -1.79 0.43 0.99 0.00 0.00 0.00 175.76 175.35 2dm7 s THR 27 N -3.59 -0.69 0.00 0.00 2.01 -1.25 -3.25 115.64 108.88 2dm7 s THR 27 Ca 0.65 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 2dm7 s THR 27 Cb -0.09 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2dm7 s THR 27 CO 0.49 -0.17 0.23 -0.76 -0.69 0.00 0.00 174.62 173.72 2dm7 s LEU 28 N 2.60 4.37 0.03 4.42 1.02 -0.32 -4.24 118.68 126.56 2dm7 s LEU 28 Ca 0.12 0.47 0.05 0.00 0.02 0.00 0.00 54.13 54.79 2dm7 s LEU 28 Cb -0.14 -2.66 -0.02 0.00 0.02 0.00 0.00 46.19 43.40 2dm7 s LEU 28 CO -0.23 0.25 -0.14 -1.10 0.02 0.00 0.00 176.35 175.15 2dm7 s GLN 29 N -1.85 0.95 -0.11 1.70 -0.21 -1.16 -1.30 119.66 117.68 2dm7 s GLN 29 Ca 0.28 -0.73 -0.15 0.00 0.02 0.00 0.00 55.36 54.77 2dm7 s GLN 29 Cb -0.13 -0.96 0.04 0.00 1.00 0.00 0.00 33.01 32.96 2dm7 s GLN 29 CO 0.17 0.24 0.39 0.00 -2.12 0.00 0.00 175.29 173.97 2dm7 s GLU 31 N -0.27 2.83 0.12 0.00 2.12 -1.24 -1.82 118.70 120.44 2dm7 s GLU 31 Ca -0.04 -0.91 0.05 0.00 0.36 0.00 0.00 54.97 54.43 2dm7 s GLU 31 Cb -0.03 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 2dm7 s GLU 31 CO 0.02 0.48 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.58 2dm7 s LEU 32 N -3.10 2.41 0.41 2.70 1.43 0.16 -2.99 118.68 119.69 2dm7 s LEU 32 Ca 0.31 -0.81 0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2dm7 s LEU 32 Cb -0.10 -0.48 0.88 0.00 0.03 0.00 0.00 46.19 46.52 2dm7 s LEU 32 CO 0.23 -0.18 1.99 -1.28 0.23 0.00 0.00 176.35 177.34 2dm7 h SER 33 N 3.51 0.27 -4.84 2.29 0.87 -0.64 -3.44 113.55 111.57 2dm7 h SER 33 Ca -0.39 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.15 2dm7 h SER 33 Cb 1.19 -0.07 -0.15 0.00 -0.44 0.00 0.00 62.40 62.93 2dm7 h SER 33 CO 0.51 0.31 0.30 -1.59 -0.53 0.00 0.00 176.83 175.84 2dm7 s LYS 34 N -5.01 1.06 -0.32 2.24 -2.85 -1.26 -4.97 119.74 108.63 2dm7 s LYS 34 Ca -0.06 -0.20 -0.35 0.00 -1.00 0.00 0.00 55.97 54.36 2dm7 s LYS 34 Cb 0.16 0.49 -0.11 0.00 -2.06 0.00 0.00 37.83 36.31 2dm7 s LYS 34 CO 0.72 -0.42 2.15 0.28 0.10 0.00 0.00 175.35 178.18 2dm7 n VAL 35 N 0.06 0.23 -3.73 1.79 0.31 -1.26 -4.89 118.33 110.84 2dm7 n VAL 35 Ca -0.15 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 63.79 2dm7 n VAL 35 Cb 0.62 -1.73 -0.08 0.00 -0.91 0.00 0.00 33.84 31.74 2dm7 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dm7 s ALA 36 N 7.05 -0.84 0.14 3.52 0.00 -1.26 -5.05 121.76 125.33 2dm7 s ALA 36 Ca 1.07 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 2dm7 s ALA 36 Cb -0.81 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 22.42 2dm7 s ALA 36 CO 0.49 -0.34 1.34 -1.25 0.00 0.00 0.00 175.76 176.00 2dm7 s PRO 37 N -1.85 4.36 0.39 0.00 0.04 -1.26 -5.03 135.00 131.64 2dm7 s PRO 37 Ca -0.10 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.02 2dm7 s PRO 37 Cb -0.03 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2dm7 s PRO 37 CO 0.01 -0.35 0.05 0.14 0.04 0.00 0.00 177.00 176.89 2dm7 s VAL 38 N 0.75 1.27 -0.14 -0.36 -7.23 -1.26 -4.43 120.40 109.00 2dm7 s VAL 38 Ca 0.61 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 2dm7 s VAL 38 Cb -0.36 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 33.98 2dm7 s VAL 38 CO 0.33 0.00 0.21 -0.70 -0.31 0.00 0.00 175.10 174.63 2dm7 s GLU 39 N -3.81 0.12 0.38 4.82 2.12 -0.91 -5.01 118.70 116.41 2dm7 s GLU 39 Ca 0.29 0.49 -0.24 0.00 0.36 0.00 0.00 54.97 55.87 2dm7 s GLU 39 Cb 0.07 -0.55 -0.10 0.00 0.26 0.00 0.00 34.13 33.81 2dm7 s GLU 39 CO 0.14 -0.43 0.98 -1.58 -0.54 0.00 0.00 175.26 173.84 2dm7 s TRP 40 N 2.34 3.44 0.03 5.30 0.52 -1.26 -2.00 118.94 127.30 2dm7 s TRP 40 Ca 0.04 1.69 0.02 0.00 0.02 0.00 0.00 56.10 57.87 2dm7 s TRP 40 Cb -0.13 -2.98 -0.02 0.00 -1.15 0.00 0.00 33.47 29.19 2dm7 s TRP 40 CO -0.09 -0.18 -0.07 0.15 0.02 0.00 0.00 176.95 176.78 2dm7 s LYS 41 N -2.50 0.51 -0.14 4.98 1.02 0.37 -3.02 119.74 120.96 2dm7 s LYS 41 Ca 0.56 -0.63 0.15 0.00 0.02 0.00 0.00 55.97 56.07 2dm7 s LYS 41 Cb -0.17 -0.33 0.44 0.00 -0.52 0.00 0.00 37.83 37.25 2dm7 s LYS 41 CO 0.22 0.07 1.34 1.17 -0.92 0.00 0.00 175.35 177.23 2dm7 n LYS 42 N 1.80 2.70 0.00 1.68 4.81 -1.26 -0.20 118.16 127.69 2dm7 n LYS 42 Ca -0.20 -2.63 0.00 0.00 -0.87 0.00 0.00 58.31 54.61 2dm7 n LYS 42 Cb 0.55 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.93 2dm7 n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dm7 n GLY 43 N -0.47 0.28 0.00 3.14 0.00 -1.25 -4.64 105.19 102.25 2dm7 n GLY 43 Ca 0.18 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 45.09 2dm7 n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm7 n PRO 44 N 0.00 0.49 -4.73 1.61 -0.04 -1.26 -4.74 135.00 126.33 2dm7 n PRO 44 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2dm7 n PRO 44 Cb 0.00 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 2dm7 n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dm7 s GLU 45 N -2.00 2.14 -0.06 0.54 0.41 -1.26 -5.15 118.70 113.32 2dm7 s GLU 45 Ca 0.15 -2.34 0.01 0.00 -0.41 0.00 0.00 54.97 52.38 2dm7 s GLU 45 Cb 0.07 -1.52 -0.03 0.00 -1.78 0.00 0.00 34.13 30.87 2dm7 s GLU 45 CO 0.11 -0.31 -0.08 0.99 -0.49 0.00 0.00 175.26 175.48 2dm7 s THR 46 N -2.86 3.57 0.59 3.63 2.01 -1.26 -4.10 115.64 117.21 2dm7 s THR 46 Ca 0.11 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.65 2dm7 s THR 46 Cb 0.03 -2.45 0.08 0.00 0.01 0.00 0.00 72.50 70.18 2dm7 s THR 46 CO 0.06 0.59 0.81 -0.76 -0.69 0.00 0.00 174.62 174.63 2dm7 s LEU 47 N -0.81 3.15 0.17 4.42 1.43 -1.17 -4.94 118.68 120.94 2dm7 s LEU 47 Ca 0.12 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 2dm7 s LEU 47 Cb -0.11 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2dm7 s LEU 47 CO 0.01 -1.38 0.46 -0.13 0.23 0.00 0.00 176.35 175.54 2dm7 s ARG 48 N -4.74 1.26 -0.36 1.70 1.81 -1.26 -4.86 118.95 112.51 2dm7 s ARG 48 Ca 0.62 -0.87 -0.21 0.00 -1.72 0.00 0.00 55.73 53.56 2dm7 s ARG 48 Cb -0.06 0.49 0.00 0.00 -0.45 0.00 0.00 34.95 34.93 2dm7 s ARG 48 CO 0.39 -0.52 0.65 0.16 -0.68 0.00 0.00 175.30 175.31 2dm7 s ASP 49 N -2.87 6.43 0.00 0.23 -4.77 -1.26 -4.75 116.67 109.68 2dm7 s ASP 49 Ca 0.09 0.13 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 2dm7 s ASP 49 Cb 0.00 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.50 2dm7 s ASP 49 CO -0.05 -0.62 0.00 0.61 0.70 0.00 0.00 175.17 175.81 2dm7 n GLY 50 N 4.68 3.47 6.51 2.12 0.00 -0.62 -5.03 105.19 116.33 2dm7 n GLY 50 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2dm7 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm7 n GLY 51 N -1.71 1.26 2.11 -0.02 0.00 -1.26 -2.68 105.19 102.89 2dm7 n GLY 51 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2dm7 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm7 n ARG 52 N 0.00 3.12 -3.70 1.61 1.74 -1.26 -5.01 116.66 113.15 2dm7 n ARG 52 Ca 0.00 -3.98 -0.11 0.00 -0.77 0.00 0.00 57.85 53.00 2dm7 n ARG 52 Cb 0.00 -2.09 -0.11 0.00 -1.02 0.00 0.00 32.46 29.24 2dm7 n ARG 52 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2dm7 s TYR 53 N -3.58 -0.57 -0.14 -1.55 2.02 -1.09 -3.79 117.35 108.64 2dm7 s TYR 53 Ca 0.46 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 2dm7 s TYR 53 Cb 0.39 0.24 0.02 0.00 -0.40 0.00 0.00 41.96 42.21 2dm7 s TYR 53 CO 0.02 -0.32 -0.14 0.45 -1.57 0.00 0.00 175.55 173.99 2dm7 s SER 54 N 1.29 2.62 -0.28 2.29 0.15 -0.78 -1.59 113.70 117.39 2dm7 s SER 54 Ca -0.09 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 2dm7 s SER 54 Cb -0.08 -1.14 0.09 0.00 -1.71 0.00 0.00 66.02 63.17 2dm7 s SER 54 CO -0.11 -0.05 0.06 -0.76 1.20 0.00 0.00 173.24 173.58 2dm7 s LEU 55 N 1.44 2.38 0.22 3.45 1.02 -1.26 0.16 118.68 126.09 2dm7 s LEU 55 Ca 0.04 -1.49 0.05 0.00 0.02 0.00 0.00 54.13 52.74 2dm7 s LEU 55 Cb -0.13 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 2dm7 s LEU 55 CO -0.09 -0.37 0.31 -1.59 0.02 0.00 0.00 176.35 174.63 2dm7 s LYS 56 N 1.55 3.33 -0.30 1.70 -2.85 -0.88 -4.96 119.74 117.33 2dm7 s LYS 56 Ca 0.06 -0.77 0.02 0.00 -1.00 0.00 0.00 55.97 54.27 2dm7 s LYS 56 Cb -0.18 -2.84 0.09 0.00 -2.06 0.00 0.00 37.83 32.84 2dm7 s LYS 56 CO -0.18 0.45 0.03 -1.14 0.10 0.00 0.00 175.35 174.62 2dm7 s GLN 57 N -3.74 1.31 -0.97 1.78 0.74 -1.26 -1.80 119.66 115.72 2dm7 s GLN 57 Ca 0.34 -1.40 -0.16 0.00 0.05 0.00 0.00 55.36 54.19 2dm7 s GLN 57 Cb -0.09 -2.68 0.18 0.00 1.10 0.00 0.00 33.01 31.51 2dm7 s GLN 57 CO 0.28 -0.86 1.09 -0.51 -0.55 0.00 0.00 175.29 174.74 2dm7 s ASP 58 N 1.25 6.81 0.57 6.67 1.01 0.36 -4.90 116.67 128.43 2dm7 s ASP 58 Ca 0.06 -2.53 0.00 0.00 0.71 0.00 0.00 52.55 50.79 2dm7 s ASP 58 Cb -0.18 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2dm7 s ASP 58 CO -0.13 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.06 2dm7 n GLY 59 N 4.58 0.88 0.74 0.21 0.00 -1.26 -1.40 105.19 108.95 2dm7 n GLY 59 Ca 0.24 0.41 0.07 0.00 0.00 0.00 0.00 46.02 46.74 2dm7 n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dm7 n THR 60 N 0.00 1.46 -4.47 2.61 -2.24 -1.26 -4.38 114.28 106.01 2dm7 n THR 60 Ca 0.00 -1.31 -0.23 0.00 -2.27 0.00 0.00 64.05 60.25 2dm7 n THR 60 Cb 0.00 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 2dm7 n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dm7 s ARG 61 N -1.65 1.64 -0.07 -0.78 3.00 -0.50 0.35 118.95 120.96 2dm7 s ARG 61 Ca 0.30 -1.83 -0.03 0.00 0.00 0.00 0.00 55.73 54.17 2dm7 s ARG 61 Cb 0.20 -1.36 0.04 0.00 0.00 0.00 0.00 34.95 33.83 2dm7 s ARG 61 CO 0.13 0.08 0.13 0.00 0.00 0.00 0.00 175.30 175.65 2dm7 s GLU 63 N 1.72 3.13 -0.12 0.00 2.12 -0.74 -2.65 118.70 122.16 2dm7 s GLU 63 Ca -0.03 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.43 2dm7 s GLU 63 Cb -0.12 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2dm7 s GLU 63 CO -0.05 -0.36 0.12 -1.17 -0.54 0.00 0.00 175.26 173.26 2dm7 s LEU 64 N 1.46 4.28 -0.01 2.70 2.96 -0.42 -2.07 118.68 127.57 2dm7 s LEU 64 Ca 0.03 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 2dm7 s LEU 64 Cb -0.16 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2dm7 s LEU 64 CO -0.01 0.40 -0.14 -1.10 -1.32 0.00 0.00 176.35 174.18 2dm7 s GLN 65 N -0.95 1.16 -0.33 1.98 -0.21 0.12 -1.17 119.66 120.26 2dm7 s GLN 65 Ca 0.14 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 55.06 2dm7 s GLN 65 Cb -0.12 -1.11 0.10 0.00 1.00 0.00 0.00 33.01 32.88 2dm7 s GLN 65 CO 0.04 0.29 0.06 0.42 -2.12 0.00 0.00 175.29 173.97 2dm7 s ILE 66 N -0.27 2.06 0.24 1.08 1.01 -1.20 -1.86 121.20 122.26 2dm7 s ILE 66 Ca 0.04 -2.20 -0.30 0.00 0.00 0.00 0.00 60.65 58.20 2dm7 s ILE 66 Cb -0.06 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 2dm7 s ILE 66 CO -0.00 -0.60 0.95 -1.00 0.00 0.00 0.00 174.94 174.28 2dm7 s HIS 67 N 1.01 3.97 -0.42 3.97 3.76 -1.25 -3.29 115.29 123.05 2dm7 s HIS 67 Ca 0.11 1.91 -0.00 0.00 -0.15 0.00 0.00 55.06 56.92 2dm7 s HIS 67 Cb -0.19 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.51 2dm7 s HIS 67 CO -0.11 0.42 0.35 -3.47 -0.85 0.00 0.00 174.74 171.09 2dm7 n ASP 68 N 1.46 -2.16 -4.50 1.40 -0.08 -1.22 -4.89 116.55 106.56 2dm7 n ASP 68 Ca -0.02 -0.21 -0.36 0.00 -1.51 0.00 0.00 54.79 52.69 2dm7 n ASP 68 Cb 0.47 -2.09 0.07 0.00 2.34 0.00 0.00 41.12 41.91 2dm7 n ASP 68 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dm7 n LEU 69 N -2.08 1.53 -3.69 -2.67 4.77 -0.41 -4.61 117.00 109.84 2dm7 n LEU 69 Ca -0.09 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2dm7 n LEU 69 Cb 0.55 -1.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 2dm7 n LEU 69 CO 0.21 -2.83 0.20 -0.44 -1.33 0.00 0.00 177.39 173.21 2dm7 s SER 70 N -1.50 -0.55 0.48 -1.43 0.01 -1.26 0.18 113.70 109.63 2dm7 s SER 70 Ca 0.68 1.06 0.39 0.00 1.31 0.00 0.00 55.95 59.38 2dm7 s SER 70 Cb -0.35 1.06 1.56 0.00 0.21 0.00 0.00 66.02 68.50 2dm7 s SER 70 CO 0.56 -0.18 1.53 1.33 0.41 0.00 0.00 173.24 176.88 2dm7 n VAL 71 N 2.87 -0.15 -0.12 3.43 0.24 -1.26 0.19 118.33 123.53 2dm7 n VAL 71 Ca -0.14 1.64 -0.12 0.00 -2.04 0.00 0.00 64.34 63.69 2dm7 n VAL 71 Cb 0.56 -2.71 -0.03 0.00 -1.47 0.00 0.00 33.84 30.20 2dm7 n VAL 71 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dm7 h ALA 72 N 1.32 0.49 -0.92 2.33 0.00 -1.98 -3.07 119.26 117.43 2dm7 h ALA 72 Ca 0.89 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 55.57 2dm7 h ALA 72 Cb 3.15 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 20.74 2dm7 h ALA 72 CO -0.28 0.39 0.55 -0.44 0.00 0.00 0.00 179.25 179.47 2dm7 h ASP 73 N 0.49 0.80 -0.51 0.00 5.19 0.17 -3.40 116.42 119.16 2dm7 h ASP 73 Ca 0.08 0.05 -0.50 0.00 -0.62 0.00 0.00 57.03 56.04 2dm7 h ASP 73 Cb 0.68 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.03 2dm7 h ASP 73 CO 0.05 0.43 1.70 0.00 -3.12 0.00 0.00 179.24 178.30 2dm7 n ALA 74 N -2.37 0.46 -2.42 3.45 0.00 -1.10 -4.68 120.51 113.86 2dm7 n ALA 74 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2dm7 n ALA 74 Cb 0.33 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2dm7 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm7 n GLY 75 N 6.39 3.89 2.73 0.00 0.00 -1.26 -4.99 105.19 111.95 2dm7 n GLY 75 Ca 0.56 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2dm7 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dm7 s GLU 76 N 3.85 0.61 -0.27 1.61 2.12 -1.26 -3.12 118.70 122.24 2dm7 s GLU 76 Ca 0.00 -0.36 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 2dm7 s GLU 76 Cb 0.00 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.34 2dm7 s GLU 76 CO 0.00 -0.62 0.30 0.71 -0.54 0.00 0.00 175.26 175.11 2dm7 s TYR 77 N 1.89 3.24 -0.03 5.30 1.51 -0.93 -3.83 117.35 124.51 2dm7 s TYR 77 Ca -0.00 0.30 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 2dm7 s TYR 77 Cb -0.17 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 2dm7 s TYR 77 CO -0.08 -0.19 -0.14 -1.12 -1.11 0.00 0.00 175.55 172.91 2dm7 s SER 78 N 1.66 4.07 -0.16 2.29 0.01 0.72 -1.05 113.70 121.25 2dm7 s SER 78 Ca 0.12 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2dm7 s SER 78 Cb -0.16 -0.84 0.02 0.00 0.21 0.00 0.00 66.02 65.25 2dm7 s SER 78 CO 0.10 0.32 -0.17 0.00 0.41 0.00 0.00 173.24 173.90 2dm7 s MET 80 N 1.32 4.26 -0.36 0.00 -1.94 -0.85 -2.62 119.30 119.12 2dm7 s MET 80 Ca 0.04 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 2dm7 s MET 80 Cb -0.13 -3.44 0.12 0.00 2.01 0.00 0.00 34.83 33.39 2dm7 s MET 80 CO -0.11 0.21 0.16 0.00 -0.01 0.00 0.00 175.02 175.27 2dm7 n GLY 82 N 4.32 2.12 0.01 0.00 0.00 -1.26 -3.34 105.19 107.04 2dm7 n GLY 82 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2dm7 n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dm7 n GLN 83 N 0.00 0.00 -0.96 1.61 -0.06 -1.26 -5.05 117.38 111.66 2dm7 n GLN 83 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 2dm7 n GLN 83 Cb 0.00 -0.86 0.21 0.00 -4.06 0.00 0.00 30.24 25.53 2dm7 n GLN 83 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2dm7 s GLU 84 N -1.72 -0.32 -0.20 3.69 0.41 -1.21 -5.08 118.70 114.27 2dm7 s GLU 84 Ca 0.00 0.50 -0.21 0.00 -0.41 0.00 0.00 54.97 54.85 2dm7 s GLU 84 Cb 0.00 -1.65 0.06 0.00 -1.78 0.00 0.00 34.13 30.76 2dm7 s GLU 84 CO 0.00 -3.23 0.58 0.50 -0.49 0.00 0.00 175.26 172.62 2dm7 s ARG 85 N -4.87 0.71 0.17 1.61 3.52 -1.26 -2.95 118.95 115.88 2dm7 s ARG 85 Ca 0.67 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.02 2dm7 s ARG 85 Cb -0.19 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.50 2dm7 s ARG 85 CO 0.59 -0.10 -0.01 -0.08 -0.81 0.00 0.00 175.30 174.89 2dm7 s THR 86 N 0.13 0.74 0.05 4.11 -1.32 -1.08 -5.00 115.64 113.28 2dm7 s THR 86 Ca -0.01 -1.99 -0.09 0.00 -1.21 0.00 0.00 61.69 58.39 2dm7 s THR 86 Cb -0.04 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.87 2dm7 s THR 86 CO 0.02 -0.51 0.19 -0.94 -2.21 0.00 0.00 174.62 171.16 2dm7 s SER 87 N -3.17 0.06 -0.14 8.08 1.04 -1.26 -1.05 113.70 117.26 2dm7 s SER 87 Ca 0.23 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 2dm7 s SER 87 Cb 0.06 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.54 2dm7 s SER 87 CO 0.03 -0.61 0.31 0.00 0.98 0.00 0.00 173.24 173.95 2dm7 s ALA 88 N -2.94 -0.74 -0.37 5.32 0.00 -0.21 -4.73 121.76 118.09 2dm7 s ALA 88 Ca -0.02 1.16 -0.25 0.00 0.00 0.00 0.00 51.96 52.84 2dm7 s ALA 88 Cb 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.26 2dm7 s ALA 88 CO -0.06 -0.40 0.90 0.99 0.00 0.00 0.00 175.76 177.20 2dm7 s THR 89 N 1.76 4.60 0.28 0.00 2.01 -1.26 -2.18 115.64 120.85 2dm7 s THR 89 Ca -0.06 1.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.83 2dm7 s THR 89 Cb -0.11 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 2dm7 s THR 89 CO -0.10 -0.54 0.85 -0.22 -0.69 0.00 0.00 174.62 173.92 2dm7 s LEU 90 N 3.43 4.34 -0.20 4.42 2.96 -1.18 -4.79 118.68 127.66 2dm7 s LEU 90 Ca 0.37 1.65 -0.07 0.00 -0.22 0.00 0.00 54.13 55.86 2dm7 s LEU 90 Cb -0.12 -3.84 -0.04 0.00 0.50 0.00 0.00 46.19 42.70 2dm7 s LEU 90 CO 0.19 -0.03 0.06 -0.89 -1.32 0.00 0.00 176.35 174.36 2dm7 s THR 91 N -1.58 4.63 -0.10 3.68 2.01 -1.23 -4.25 115.64 118.80 2dm7 s THR 91 Ca 0.47 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.41 2dm7 s THR 91 Cb -0.18 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.24 2dm7 s THR 91 CO 0.22 0.43 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.71 2dm7 s VAL 92 N 0.70 1.64 -0.24 3.82 1.01 -1.26 -1.94 120.40 124.13 2dm7 s VAL 92 Ca 0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2dm7 s VAL 92 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2dm7 s VAL 92 CO 0.02 0.47 0.09 -0.60 0.00 0.00 0.00 175.10 175.08 2dm7 s ARG 93 N 0.70 3.79 0.68 2.72 3.52 -0.26 -4.89 118.95 125.22 2dm7 s ARG 93 Ca -0.12 -0.41 -0.17 0.00 -0.13 0.00 0.00 55.73 54.90 2dm7 s ARG 93 Cb -0.16 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 2dm7 s ARG 93 CO 0.03 -0.08 1.21 0.00 -0.81 0.00 0.00 175.30 175.65 2dm7 n ALA 94 N 4.62 0.68 -0.99 6.12 0.00 -1.26 -0.21 120.51 129.47 2dm7 n ALA 94 Ca -0.16 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 2dm7 n ALA 94 Cb 0.52 -2.27 0.12 0.00 0.00 0.00 0.00 19.45 17.82 2dm7 n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dm7 n LEU 95 N -2.01 2.16 -4.71 0.00 4.77 -1.26 -4.73 117.00 111.22 2dm7 n LEU 95 Ca 0.15 0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 56.20 2dm7 n LEU 95 Cb 0.49 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2dm7 n LEU 95 CO 0.48 -2.62 1.06 -2.16 -1.33 0.00 0.00 177.39 172.81 2dm7 s PRO 96 N -3.75 4.32 -0.34 3.23 0.04 -1.26 -5.01 135.00 132.23 2dm7 s PRO 96 Ca 0.66 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.66 2dm7 s PRO 96 Cb -0.27 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 30.98 2dm7 s PRO 96 CO 0.58 -0.45 0.12 0.00 0.04 0.00 0.00 177.00 177.29 2dm7 s ALA 97 N 1.38 3.08 0.19 8.56 0.00 -1.26 -4.97 121.76 128.75 2dm7 s ALA 97 Ca 0.64 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 2dm7 s ALA 97 Cb -0.35 -2.32 0.09 0.00 0.00 0.00 0.00 23.12 20.54 2dm7 s ALA 97 CO 0.29 -1.33 1.69 0.00 0.00 0.00 0.00 175.76 176.41 2dm7 h ARG 98 N 8.26 1.10 -5.28 0.00 2.47 -2.05 -3.41 114.38 115.46 2dm7 h ARG 98 Ca -0.24 -0.29 -0.32 0.00 -1.26 0.00 0.00 59.98 57.87 2dm7 h ARG 98 Cb 1.09 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.24 2dm7 h ARG 98 CO 0.61 1.00 1.29 0.34 0.56 0.00 0.00 179.97 183.78 2dm7 n PHE 99 N -4.23 0.87 -1.19 3.04 7.35 -1.26 -4.76 117.46 117.28 2dm7 n PHE 99 Ca 0.04 0.11 -0.35 0.00 -0.76 0.00 0.00 57.45 56.50 2dm7 n PHE 99 Cb 0.29 -2.14 -0.09 0.00 0.35 0.00 0.00 39.48 37.88 2dm7 n PHE 99 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2dm7 n THR 100 N 7.61 0.83 -1.43 -2.13 5.66 -1.26 -4.85 114.28 118.70 2dm7 n THR 100 Ca 0.52 -0.78 -0.63 0.00 -3.05 0.00 0.00 64.05 60.12 2dm7 n THR 100 Cb 0.32 -2.12 -0.11 0.00 -1.55 0.00 0.00 70.33 66.87 2dm7 n THR 100 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2dm7 n GLU 101 N 7.82 0.01 0.00 1.09 0.00 -1.26 -3.98 120.64 124.31 2dm7 n GLU 101 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.62 2dm7 n GLU 101 Cb 0.43 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.37 2dm7 n GLU 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dm7 n GLY 102 N 6.24 -0.03 3.28 8.31 0.00 -1.26 -5.09 105.19 116.63 2dm7 n GLY 102 Ca 0.46 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2dm7 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm7 s SER 103 N -4.00 3.67 0.00 1.61 0.01 -1.26 -5.08 113.70 108.65 2dm7 s SER 103 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2dm7 s SER 103 Cb 0.00 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2dm7 s SER 103 CO 0.00 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2dm7 n GLY 104 N 3.95 0.77 3.76 3.44 0.00 -1.26 -4.89 105.19 110.96 2dm7 n GLY 104 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2dm7 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm7 s PRO 105 N 0.00 4.45 -0.17 1.61 0.04 -1.26 -4.97 135.00 134.70 2dm7 s PRO 105 Ca 0.00 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 2dm7 s PRO 105 Cb 0.00 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2dm7 s PRO 105 CO 0.00 -0.07 1.31 0.45 0.04 0.00 0.00 177.00 178.73 2dm7 s SER 106 N -0.47 6.88 -1.17 6.66 0.15 -1.26 -3.80 113.70 120.68 2dm7 s SER 106 Ca 0.49 1.68 -0.03 0.00 0.70 0.00 0.00 55.95 58.79 2dm7 s SER 106 Cb -0.37 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.43 2dm7 s SER 106 CO 0.47 -0.82 0.07 -1.20 1.20 0.00 0.00 173.24 172.95 2dm7 n SER 107 N 6.82 0.38 0.00 5.45 7.64 -1.26 -5.29 113.62 127.35 2dm7 n SER 107 Ca 0.14 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2dm7 n SER 107 Cb 0.45 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2dm7 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64