#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 s SER 2 N 0.00 6.83 -0.01 1.61 0.01 -1.26 -5.07 113.70 115.81 2dm8 s SER 2 Ca 0.00 0.99 -0.00 0.00 1.31 0.00 0.00 55.95 58.25 2dm8 s SER 2 Cb 0.00 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.92 2dm8 s SER 2 CO 0.00 0.04 0.01 -0.94 0.41 0.00 0.00 173.24 172.76 2dm8 s SER 3 N 0.28 0.03 0.00 2.44 1.04 -1.26 -5.12 113.70 111.12 2dm8 s SER 3 Ca 0.29 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2dm8 s SER 3 Cb -0.17 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2dm8 s SER 3 CO 0.14 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dm8 n GLY 4 N 3.62 2.11 3.74 7.32 0.00 -1.26 -5.04 105.19 115.70 2dm8 n GLY 4 Ca -0.20 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.28 2dm8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm8 s SER 5 N 0.00 7.46 0.50 1.61 0.15 -1.26 -5.03 113.70 117.13 2dm8 s SER 5 Ca 0.00 2.01 -0.19 0.00 0.70 0.00 0.00 55.95 58.47 2dm8 s SER 5 Cb 0.00 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.62 2dm8 s SER 5 CO 0.00 -0.03 1.03 -0.55 1.20 0.00 0.00 173.24 174.89 2dm8 s SER 6 N -0.64 6.33 0.00 5.45 0.15 -1.26 -4.95 113.70 118.77 2dm8 s SER 6 Ca 0.45 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.96 2dm8 s SER 6 Cb -0.27 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2dm8 s SER 6 CO 0.34 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dm8 n GLY 7 N -0.49 4.37 0.19 9.45 0.00 -1.26 -4.99 105.19 112.46 2dm8 n GLY 7 Ca 0.09 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 2dm8 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 h PRO 8 N 0.00 0.24 -6.61 1.61 0.13 -1.95 -3.40 132.00 122.02 2dm8 h PRO 8 Ca 0.00 -0.13 -0.43 0.00 -0.87 0.00 0.00 66.00 64.57 2dm8 h PRO 8 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.17 2dm8 h PRO 8 CO 0.00 0.66 -0.16 0.00 -0.23 0.00 0.00 178.00 178.27 2dm8 s ALA 9 N -4.03 4.29 -0.32 -0.56 0.00 -1.26 -3.81 121.76 116.06 2dm8 s ALA 9 Ca -0.04 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2dm8 s ALA 9 Cb 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2dm8 s ALA 9 CO 0.78 -0.51 0.00 0.25 0.00 0.00 0.00 175.76 176.28 2dm8 n THR 10 N -2.07 -0.13 -3.91 0.00 -2.24 -1.26 -4.87 114.28 99.79 2dm8 n THR 10 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 2dm8 n THR 10 Cb 0.59 -0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 s PRO 12 N -0.52 0.63 -0.53 0.00 0.04 -1.26 -4.99 135.00 128.38 2dm8 s PRO 12 Ca -0.06 0.60 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 2dm8 s PRO 12 Cb -0.04 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.81 2dm8 s PRO 12 CO -0.00 -2.61 0.72 0.42 0.04 0.00 0.00 177.00 175.56 2dm8 s ILE 13 N -2.96 4.73 -0.20 0.56 1.01 -1.26 -5.02 121.20 118.06 2dm8 s ILE 13 Ca 0.65 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 2dm8 s ILE 13 Cb -0.18 -4.38 -0.01 0.00 0.01 0.00 0.00 42.46 37.89 2dm8 s ILE 13 CO 0.57 -0.93 1.35 -0.69 0.00 0.00 0.00 174.94 175.24 2dm8 s VAL 14 N 3.00 4.12 0.91 2.92 1.01 -1.26 -4.98 120.40 126.12 2dm8 s VAL 14 Ca 0.19 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.37 2dm8 s VAL 14 Cb -0.18 -3.97 0.14 0.00 0.00 0.00 0.00 36.38 32.37 2dm8 s VAL 14 CO 0.13 -0.25 1.09 -2.16 0.00 0.00 0.00 175.10 173.92 2dm8 s PRO 15 N 3.87 1.12 0.00 2.72 0.04 -1.26 -3.70 135.00 137.79 2dm8 s PRO 15 Ca 0.58 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2dm8 s PRO 15 Cb -0.21 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2dm8 s PRO 15 CO 0.20 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.33 2dm8 n GLY 16 N -1.13 1.28 3.31 0.56 0.00 -1.12 -4.90 105.19 103.19 2dm8 n GLY 16 Ca 0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2dm8 n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dm8 s GLN 17 N 0.00 1.80 0.24 1.61 1.03 -1.24 -4.94 119.66 118.16 2dm8 s GLN 17 Ca 0.00 -1.00 -0.30 0.00 0.04 0.00 0.00 55.36 54.10 2dm8 s GLN 17 Cb 0.00 -1.89 -0.10 0.00 0.03 0.00 0.00 33.01 31.06 2dm8 s GLN 17 CO 0.00 0.50 1.38 -1.21 -2.54 0.00 0.00 175.29 173.42 2dm8 s GLU 18 N -1.00 4.32 0.23 9.60 2.02 -1.26 -4.72 118.70 127.89 2dm8 s GLU 18 Ca 0.10 2.21 0.05 0.00 0.02 0.00 0.00 54.97 57.36 2dm8 s GLU 18 Cb -0.10 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 2dm8 s GLU 18 CO 0.01 -0.34 -0.06 0.00 0.02 0.00 0.00 175.26 174.89 2dm8 s MET 19 N -0.45 1.38 0.06 1.61 0.23 -0.97 -5.03 119.30 116.13 2dm8 s MET 19 Ca 0.57 -1.68 0.06 0.00 -1.03 0.00 0.00 55.69 53.62 2dm8 s MET 19 Cb -0.40 -0.90 -0.04 0.00 -1.53 0.00 0.00 34.83 31.97 2dm8 s MET 19 CO 0.43 0.02 -0.13 0.42 -2.03 0.00 0.00 175.02 173.73 2dm8 s ILE 20 N -3.18 3.18 -0.02 3.16 1.09 -1.26 -1.70 121.20 122.47 2dm8 s ILE 20 Ca 0.26 -1.16 0.03 0.00 -1.10 0.00 0.00 60.65 58.68 2dm8 s ILE 20 Cb 0.04 -2.42 -0.00 0.00 -1.06 0.00 0.00 42.46 39.02 2dm8 s ILE 20 CO 0.09 0.24 -0.10 0.27 -0.10 0.00 0.00 174.94 175.33 2dm8 s ILE 21 N -1.07 0.86 -0.18 2.92 -4.36 0.05 -4.14 121.20 115.28 2dm8 s ILE 21 Ca 0.18 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 60.15 2dm8 s ILE 21 Cb -0.11 -0.75 0.02 0.00 1.25 0.00 0.00 42.46 42.87 2dm8 s ILE 21 CO 0.09 0.26 -0.20 -1.61 0.24 0.00 0.00 174.94 173.72 2dm8 s GLU 22 N 0.01 3.00 -0.13 0.37 2.02 -1.25 -1.16 118.70 121.55 2dm8 s GLU 22 Ca -0.00 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.19 2dm8 s GLU 22 Cb -0.07 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.59 2dm8 s GLU 22 CO 0.00 -0.21 -0.22 0.42 0.02 0.00 0.00 175.26 175.27 2dm8 s ILE 23 N 1.28 2.06 -0.06 -1.63 1.01 -0.05 -4.70 121.20 119.12 2dm8 s ILE 23 Ca 0.05 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 2dm8 s ILE 23 Cb -0.13 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2dm8 s ILE 23 CO -0.13 0.55 0.67 -0.55 0.00 0.00 0.00 174.94 175.49 2dm8 s SER 24 N 0.75 6.97 -0.21 3.58 0.15 -1.25 0.37 113.70 124.05 2dm8 s SER 24 Ca -0.09 1.17 -0.29 0.00 0.70 0.00 0.00 55.95 57.44 2dm8 s SER 24 Cb -0.16 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2dm8 s SER 24 CO -0.00 -0.07 1.36 -0.54 1.20 0.00 0.00 173.24 175.18 2dm8 s LYS 25 N 0.63 4.06 -1.30 5.44 1.02 0.16 -4.88 119.74 124.86 2dm8 s LYS 25 Ca 0.36 1.57 -0.16 0.00 0.02 0.00 0.00 55.97 57.76 2dm8 s LYS 25 Cb -0.18 -3.86 0.10 0.00 -0.52 0.00 0.00 37.83 33.37 2dm8 s LYS 25 CO 0.18 -0.94 1.75 0.41 -0.92 0.00 0.00 175.35 175.82 2dm8 n GLY 26 N 4.05 3.23 4.38 -3.33 0.00 -1.26 -4.49 105.19 107.76 2dm8 n GLY 26 Ca 0.15 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2dm8 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 n ARG 27 N 7.03 -1.72 -3.56 1.61 1.74 -1.26 -4.87 116.66 115.63 2dm8 n ARG 27 Ca 0.46 0.23 -0.09 0.00 -0.77 0.00 0.00 57.85 57.68 2dm8 n ARG 27 Cb 0.43 -4.72 -0.04 0.00 -1.02 0.00 0.00 32.46 27.11 2dm8 n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dm8 s SER 28 N -3.44 -0.33 0.33 0.55 0.01 -1.26 -5.15 113.70 104.41 2dm8 s SER 28 Ca 0.68 0.23 -0.28 0.00 1.31 0.00 0.00 55.95 57.88 2dm8 s SER 28 Cb -0.38 0.30 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 2dm8 s SER 28 CO 0.98 -0.40 1.18 -0.83 0.41 0.00 0.00 173.24 174.59 2dm8 s GLY 29 N -1.63 2.98 0.38 3.44 0.00 -1.26 -4.79 107.32 106.44 2dm8 s GLY 29 Ca 0.02 1.02 -0.23 0.00 0.00 0.00 0.00 44.72 45.53 2dm8 s GLY 29 CO -0.03 1.61 0.56 1.04 0.00 0.00 0.00 173.10 176.29 2dm8 n LEU 30 N 0.73 -0.16 -3.79 0.66 4.77 -1.26 -4.44 117.00 113.51 2dm8 n LEU 30 Ca 0.01 0.95 -0.35 0.00 -0.03 0.00 0.00 56.01 56.60 2dm8 n LEU 30 Cb 0.44 -1.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 2dm8 n LEU 30 CO 0.54 -2.83 0.50 0.61 -1.33 0.00 0.00 177.39 174.89 2dm8 n GLY 31 N 1.78 4.77 3.35 -0.72 0.00 -1.26 -4.83 105.19 108.28 2dm8 n GLY 31 Ca 0.12 -2.70 -0.10 0.00 0.00 0.00 0.00 46.02 43.35 2dm8 n GLY 31 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dm8 s LEU 32 N -2.33 0.76 0.13 0.99 0.05 -1.26 0.11 118.68 117.12 2dm8 s LEU 32 Ca 0.34 -0.64 0.06 0.00 0.05 0.00 0.00 54.13 53.94 2dm8 s LEU 32 Cb 0.06 1.49 -0.04 0.00 -2.05 0.00 0.00 46.19 45.65 2dm8 s LEU 32 CO 0.00 -0.89 -0.14 -0.55 -0.55 0.00 0.00 176.35 174.22 2dm8 s SER 33 N -2.90 2.05 0.32 1.48 0.15 0.13 -4.91 113.70 110.02 2dm8 s SER 33 Ca 0.10 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 55.94 2dm8 s SER 33 Cb 0.02 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.22 2dm8 s SER 33 CO -0.05 -0.15 0.11 0.27 1.20 0.00 0.00 173.24 174.61 2dm8 s ILE 34 N -2.27 0.70 0.16 6.45 -4.36 -1.26 -0.62 121.20 120.00 2dm8 s ILE 34 Ca 0.11 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.30 2dm8 s ILE 34 Cb -0.04 -2.59 0.05 0.00 1.25 0.00 0.00 42.46 41.12 2dm8 s ILE 34 CO 0.03 0.00 0.52 0.68 0.24 0.00 0.00 174.94 176.41 2dm8 s VAL 35 N -3.47 0.03 0.00 8.37 -7.23 -0.78 -4.62 120.40 112.70 2dm8 s VAL 35 Ca 0.34 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 2dm8 s VAL 35 Cb 0.06 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.76 2dm8 s VAL 35 CO 0.15 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2dm8 n GLY 36 N -0.32 -1.83 0.00 2.32 0.00 -1.26 -2.87 105.19 101.23 2dm8 n GLY 36 Ca -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2dm8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm8 n GLY 37 N 0.00 0.44 0.30 -0.02 0.00 -0.93 -2.46 105.19 102.51 2dm8 n GLY 37 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2dm8 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dm8 n LYS 38 N 0.00 0.38 -0.24 1.61 5.02 -1.25 -4.29 118.16 119.39 2dm8 n LYS 38 Ca 0.00 0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.42 2dm8 n LYS 38 Cb 0.00 -1.20 0.08 0.00 -0.02 0.00 0.00 35.03 33.89 2dm8 n LYS 38 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dm8 n ASP 39 N -3.43 2.46 -4.40 4.39 -0.08 -1.26 -4.84 116.55 109.38 2dm8 n ASP 39 Ca -0.32 -2.27 -0.23 0.00 -1.51 0.00 0.00 54.79 50.46 2dm8 n ASP 39 Cb 0.77 -0.56 -0.11 0.00 2.34 0.00 0.00 41.12 43.56 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2dm8 s THR 40 N -1.21 2.17 -2.00 5.18 -4.23 -1.26 -5.01 115.64 109.27 2dm8 s THR 40 Ca 0.13 -2.14 0.13 0.00 -1.18 0.00 0.00 61.69 58.63 2dm8 s THR 40 Cb 0.10 -2.09 0.37 0.00 1.34 0.00 0.00 72.50 72.22 2dm8 s THR 40 CO 0.03 -0.32 1.20 -0.81 -0.54 0.00 0.00 174.62 174.18 2dm8 n PRO 41 N -0.09 0.49 -3.93 3.99 -0.04 -1.26 -4.53 135.00 129.63 2dm8 n PRO 41 Ca -0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.12 2dm8 n PRO 41 Cb 0.58 -1.41 -0.17 0.00 -0.04 0.00 0.00 33.50 32.46 2dm8 n PRO 41 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2dm8 s LEU 42 N -1.83 1.03 -0.14 1.53 2.34 -1.26 -5.00 118.68 115.34 2dm8 s LEU 42 Ca 0.19 -0.21 0.05 0.00 0.06 0.00 0.00 54.13 54.22 2dm8 s LEU 42 Cb 0.09 -0.67 0.36 0.00 -0.56 0.00 0.00 46.19 45.41 2dm8 s LEU 42 CO 0.15 -0.13 1.18 0.59 -1.06 0.00 0.00 176.35 177.08 2dm8 n ASN 43 N 4.85 3.24 -3.86 1.48 3.02 -1.26 -2.20 115.26 120.53 2dm8 n ASN 43 Ca -0.12 -2.52 -0.23 0.00 -0.03 0.00 0.00 54.58 51.67 2dm8 n ASN 43 Cb 0.50 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 38.89 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dm8 s ALA 44 N -1.72 0.90 0.15 5.41 0.00 -1.26 -4.81 121.76 120.42 2dm8 s ALA 44 Ca 0.25 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2dm8 s ALA 44 Cb 0.20 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 2dm8 s ALA 44 CO 0.07 -0.27 1.30 0.42 0.00 0.00 0.00 175.76 177.28 2dm8 s ILE 45 N 1.48 3.42 0.05 0.00 -1.09 -1.26 -4.69 121.20 119.11 2dm8 s ILE 45 Ca -0.02 1.10 0.03 0.00 -2.23 0.00 0.00 60.65 59.54 2dm8 s ILE 45 Cb -0.13 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2dm8 s ILE 45 CO -0.04 0.13 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.01 2dm8 s VAL 46 N 0.54 0.74 -0.66 2.92 1.01 -1.14 -1.74 120.40 122.07 2dm8 s VAL 46 Ca 0.59 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 2dm8 s VAL 46 Cb -0.35 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2dm8 s VAL 46 CO 0.34 -0.32 1.38 -0.63 0.00 0.00 0.00 175.10 175.88 2dm8 s ILE 47 N -1.32 3.72 0.08 2.22 1.01 -1.17 -1.86 121.20 123.88 2dm8 s ILE 47 Ca -0.07 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 2dm8 s ILE 47 Cb -0.10 -4.65 -0.17 0.00 0.01 0.00 0.00 42.46 37.56 2dm8 s ILE 47 CO 0.01 -1.51 1.66 -0.74 0.00 0.00 0.00 174.94 174.36 2dm8 h HIS 48 N 10.90 -0.62 -3.33 3.97 -0.00 -1.13 -3.38 115.15 121.56 2dm8 h HIS 48 Ca -0.27 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 59.96 2dm8 h HIS 48 Cb 1.08 0.21 -0.20 0.00 -0.00 0.00 0.00 27.41 28.50 2dm8 h HIS 48 CO 1.08 -0.37 -0.38 -2.00 -0.00 0.00 0.00 177.93 176.26 2dm8 s GLU 49 N -6.09 0.60 -0.43 5.26 2.56 -1.24 -4.89 118.70 114.47 2dm8 s GLU 49 Ca -0.16 -0.37 0.03 0.00 0.00 0.00 0.00 54.97 54.47 2dm8 s GLU 49 Cb 0.05 0.26 0.12 0.00 2.00 0.00 0.00 34.13 36.55 2dm8 s GLU 49 CO 0.63 -0.16 0.17 0.08 -0.56 0.00 0.00 175.26 175.42 2dm8 s VAL 50 N -1.61 2.58 0.33 3.70 1.01 -1.26 0.20 120.40 125.34 2dm8 s VAL 50 Ca -0.12 -2.73 -0.29 0.00 0.00 0.00 0.00 61.98 58.84 2dm8 s VAL 50 Cb -0.05 -2.83 -0.12 0.00 0.00 0.00 0.00 36.38 33.37 2dm8 s VAL 50 CO 0.02 -0.70 1.33 -1.22 0.00 0.00 0.00 175.10 174.53 2dm8 n TYR 51 N 3.80 2.33 0.09 5.22 4.02 0.29 -4.83 117.16 128.08 2dm8 n TYR 51 Ca 0.04 0.51 -0.14 0.00 -0.01 0.00 0.00 57.90 58.30 2dm8 n TYR 51 Cb 0.38 -2.44 -0.11 0.00 -0.02 0.00 0.00 39.34 37.15 2dm8 n TYR 51 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dm8 h GLU 52 N 2.93 0.26 -1.93 -0.72 5.08 -1.98 -3.29 114.58 114.93 2dm8 h GLU 52 Ca -0.46 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.39 2dm8 h GLU 52 Cb 1.28 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 2dm8 h GLU 52 CO 0.65 1.16 -0.00 -0.85 -1.00 0.00 0.00 179.01 178.98 2dm8 n GLU 53 N -3.55 1.41 -4.14 2.33 0.28 -1.26 -4.59 120.64 111.11 2dm8 n GLU 53 Ca -0.07 -0.57 -0.15 0.00 -0.16 0.00 0.00 57.16 56.21 2dm8 n GLU 53 Cb 0.97 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 32.42 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2dm8 s GLY 54 N 1.64 1.57 0.09 -1.84 0.00 -1.24 -4.81 107.32 102.73 2dm8 s GLY 54 Ca 0.22 -1.60 -0.16 0.00 0.00 0.00 0.00 44.72 43.18 2dm8 s GLY 54 CO -0.01 -1.13 1.41 0.00 0.00 0.00 0.00 173.10 173.37 2dm8 h ALA 55 N 2.21 0.38 -0.63 3.20 0.00 -1.87 -2.97 119.26 119.58 2dm8 h ALA 55 Ca -0.28 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.37 2dm8 h ALA 55 Cb 1.24 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 2dm8 h ALA 55 CO 0.40 0.36 -0.22 0.00 0.00 0.00 0.00 179.25 179.79 2dm8 h ALA 56 N 0.69 0.27 -0.13 0.00 0.00 -1.86 -0.91 119.26 117.32 2dm8 h ALA 56 Ca 0.04 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dm8 h ALA 56 Cb 0.81 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2dm8 h ALA 56 CO 0.06 -0.51 0.07 0.00 0.00 0.00 0.00 179.25 178.87 2dm8 h ALA 57 N 1.42 0.17 -1.40 0.00 0.00 -1.63 -2.23 119.26 115.60 2dm8 h ALA 57 Ca 0.29 -0.06 0.42 0.00 0.00 0.00 0.00 54.91 55.56 2dm8 h ALA 57 Cb 0.51 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2dm8 h ALA 57 CO -0.68 -0.29 0.96 0.00 0.00 0.00 0.00 179.25 179.25 2dm8 h ARG 58 N 0.11 0.09 0.01 0.00 2.47 -1.01 0.12 114.38 116.18 2dm8 h ARG 58 Ca 0.05 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 2dm8 h ARG 58 Cb 0.08 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2dm8 h ARG 58 CO -0.01 0.06 -0.30 0.22 0.56 0.00 0.00 179.97 180.50 2dm8 h ASP 59 N 0.09 0.04 0.00 7.04 3.58 -1.00 -3.48 116.42 122.69 2dm8 h ASP 59 Ca 0.75 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2dm8 h ASP 59 Cb 2.62 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 43.66 2dm8 h ASP 59 CO -0.20 1.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.90 2dm8 n GLY 60 N 1.59 3.00 0.29 -0.78 0.00 0.42 -4.81 105.19 104.90 2dm8 n GLY 60 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 2dm8 n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dm8 h ARG 61 N 1.26 0.00 -4.82 1.61 2.47 -1.86 -3.38 114.38 109.66 2dm8 h ARG 61 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 2dm8 h ARG 61 Cb 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.14 2dm8 h ARG 61 CO 0.00 0.00 -0.50 -0.51 0.56 0.00 0.00 179.97 179.52 2dm8 s LEU 62 N -8.25 4.22 0.00 3.04 1.43 -1.26 -4.93 118.68 112.94 2dm8 s LEU 62 Ca -0.05 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2dm8 s LEU 62 Cb 0.16 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2dm8 s LEU 62 CO 0.60 -0.13 0.37 0.79 0.23 0.00 0.00 176.35 178.21 2dm8 n TRP 63 N 5.08 -1.68 0.08 0.29 8.01 -1.26 -4.89 117.44 123.06 2dm8 n TRP 63 Ca -0.13 -1.38 -0.04 0.00 -1.31 0.00 0.00 57.50 54.63 2dm8 n TRP 63 Cb 0.51 -0.31 0.13 0.00 -2.01 0.00 0.00 31.31 29.63 2dm8 n TRP 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2dm8 n ALA 64 N -2.43 3.53 -2.21 6.99 0.00 -1.26 -3.75 120.51 121.38 2dm8 n ALA 64 Ca -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2dm8 n ALA 64 Cb 0.38 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 2dm8 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm8 n GLY 65 N 0.00 0.77 3.95 0.00 0.00 -1.26 -4.76 105.19 103.89 2dm8 n GLY 65 Ca 0.20 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2dm8 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm8 s ASP 66 N -1.30 6.33 -0.29 1.61 1.01 -1.25 -4.98 116.67 117.81 2dm8 s ASP 66 Ca 0.14 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.71 2dm8 s ASP 66 Cb 0.16 -1.95 0.08 0.00 1.01 0.00 0.00 42.92 42.22 2dm8 s ASP 66 CO -0.07 -0.12 -0.02 -1.10 0.21 0.00 0.00 175.17 174.07 2dm8 s GLN 67 N -3.84 1.67 0.27 8.23 -0.21 -1.26 -3.02 119.66 121.51 2dm8 s GLN 67 Ca 0.37 -1.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.02 2dm8 s GLN 67 Cb -0.10 -2.86 -0.09 0.00 1.00 0.00 0.00 33.01 30.96 2dm8 s GLN 67 CO 0.31 -0.75 0.97 0.42 -2.12 0.00 0.00 175.29 174.12 2dm8 s ILE 68 N 1.14 3.98 -0.05 1.08 1.09 -0.71 -2.42 121.20 125.31 2dm8 s ILE 68 Ca 0.01 1.91 0.05 0.00 -1.10 0.00 0.00 60.65 61.52 2dm8 s ILE 68 Cb -0.19 -4.18 -0.07 0.00 -1.06 0.00 0.00 42.46 36.96 2dm8 s ILE 68 CO -0.08 0.39 0.03 0.18 -0.10 0.00 0.00 174.94 175.36 2dm8 n LEU 69 N 1.22 0.00 -3.73 2.97 4.77 -0.58 -4.04 117.00 117.61 2dm8 n LEU 69 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 2dm8 n LEU 69 Cb 0.47 0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2dm8 n LEU 69 CO 0.50 0.12 0.05 -0.70 -1.33 0.00 0.00 177.39 176.02 2dm8 s GLU 70 N -2.16 0.96 -0.10 3.23 2.12 -1.25 -1.90 118.70 119.60 2dm8 s GLU 70 Ca -0.03 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.47 2dm8 s GLU 70 Cb 0.02 0.41 0.05 0.00 0.26 0.00 0.00 34.13 34.87 2dm8 s GLU 70 CO 0.22 -0.35 0.21 0.54 -0.54 0.00 0.00 175.26 175.35 2dm8 s VAL 71 N -3.73 -0.15 -0.67 3.70 0.11 -1.08 -2.30 120.40 116.27 2dm8 s VAL 71 Ca 0.03 0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2dm8 s VAL 71 Cb 0.03 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2dm8 s VAL 71 CO -0.11 0.09 0.04 -3.20 -3.33 0.00 0.00 175.10 168.59 2dm8 n ASN 72 N 4.63 -2.75 -0.54 3.54 2.85 0.83 0.13 115.26 123.95 2dm8 n ASN 72 Ca -0.18 0.26 -0.01 0.00 -0.11 0.00 0.00 54.58 54.54 2dm8 n ASN 72 Cb 0.51 -2.39 0.00 0.00 1.24 0.00 0.00 39.78 39.14 2dm8 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dm8 n GLY 73 N -0.71 0.83 2.67 8.20 0.00 -1.26 -5.05 105.19 109.87 2dm8 n GLY 73 Ca -0.08 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2dm8 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm8 s VAL 74 N -2.88 0.56 0.01 1.61 1.01 0.12 -5.11 120.40 115.72 2dm8 s VAL 74 Ca 0.02 -1.18 -0.38 0.00 0.00 0.00 0.00 61.98 60.44 2dm8 s VAL 74 Cb -0.01 -1.44 -0.17 0.00 0.00 0.00 0.00 36.38 34.76 2dm8 s VAL 74 CO 0.02 -0.69 1.35 -0.67 0.00 0.00 0.00 175.10 175.11 2dm8 n ASP 75 N 4.98 1.44 -0.01 3.32 2.03 -1.26 -2.63 116.55 124.42 2dm8 n ASP 75 Ca -0.03 1.12 0.01 0.00 0.52 0.00 0.00 54.79 56.41 2dm8 n ASP 75 Cb 0.42 -1.13 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dm8 n LEU 76 N 2.74 0.00 0.14 -2.67 4.77 -0.80 -4.23 117.00 116.96 2dm8 n LEU 76 Ca 0.20 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 2dm8 n LEU 76 Cb 0.16 0.05 0.39 0.00 -2.33 0.00 0.00 43.42 41.68 2dm8 n LEU 76 CO 0.65 0.05 1.12 0.03 -1.33 0.00 0.00 177.39 177.91 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 3.08 -1.84 -0.96 114.38 117.90 2dm8 h ARG 77 Ca -0.05 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2dm8 h ARG 77 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2dm8 h ARG 77 CO 0.00 0.00 -1.67 -1.71 -1.07 0.00 0.00 179.97 175.52 2dm8 n ASN 78 N -2.95 2.12 -4.17 7.04 4.05 -1.26 -4.81 115.26 115.27 2dm8 n ASN 78 Ca 0.07 0.03 -0.36 0.00 0.45 0.00 0.00 54.58 54.78 2dm8 n ASN 78 Cb 0.98 -0.26 0.06 0.00 1.23 0.00 0.00 39.78 41.78 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2dm8 n SER 79 N -3.16 -4.37 -4.98 1.20 7.64 -0.36 -4.48 113.62 105.12 2dm8 n SER 79 Ca -0.22 0.32 -0.20 0.00 1.01 0.00 0.00 58.87 59.78 2dm8 n SER 79 Cb 0.70 -0.92 0.03 0.00 -1.01 0.00 0.00 64.21 63.01 2dm8 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm8 s SER 80 N -1.27 5.37 0.00 6.43 1.04 -1.26 -3.92 113.70 120.09 2dm8 s SER 80 Ca 0.49 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2dm8 s SER 80 Cb -0.25 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2dm8 s SER 80 CO 0.75 -1.05 0.76 1.57 0.98 0.00 0.00 173.24 176.26 2dm8 n HIS 81 N -2.19 0.00 -0.39 5.02 -0.00 -1.03 -0.30 115.22 116.33 2dm8 n HIS 81 Ca 0.08 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.16 2dm8 n HIS 81 Cb 0.60 -0.26 -0.09 0.00 -0.12 0.00 0.00 29.99 30.11 2dm8 n HIS 81 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2dm8 n GLU 82 N -2.00 -0.41 -0.23 1.57 4.71 -1.26 -0.08 120.64 122.95 2dm8 n GLU 82 Ca 0.00 1.42 -0.02 0.00 -0.01 0.00 0.00 57.16 58.55 2dm8 n GLU 82 Cb 0.00 -2.08 0.04 0.00 -1.01 0.00 0.00 31.44 28.39 2dm8 n GLU 82 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2dm8 h GLU 83 N 0.00 -0.08 -0.28 3.49 4.39 -1.77 0.76 114.58 121.08 2dm8 h GLU 83 Ca 0.16 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.94 2dm8 h GLU 83 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2dm8 h GLU 83 CO -0.88 -0.05 0.21 0.00 -1.16 0.00 0.00 179.01 177.13 2dm8 h ALA 84 N 1.35 2.22 0.06 3.43 0.00 0.26 -0.52 119.26 126.05 2dm8 h ALA 84 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dm8 h ALA 84 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2dm8 h ALA 84 CO -0.71 -0.36 -0.03 0.82 0.00 0.00 0.00 179.25 178.97 2dm8 h ILE 85 N 0.00 1.28 -0.37 0.00 1.08 0.19 -3.22 117.51 116.47 2dm8 h ILE 85 Ca 0.13 -1.40 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 2dm8 h ILE 85 Cb 0.56 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 2dm8 h ILE 85 CO -0.00 0.34 0.17 0.74 -0.69 0.00 0.00 178.15 178.70 2dm8 h THR 86 N -0.73 1.13 0.00 -0.27 2.02 -0.62 -0.72 112.91 113.72 2dm8 h THR 86 Ca -0.01 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2dm8 h THR 86 Cb 0.61 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2dm8 h THR 86 CO 0.01 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.06 2dm8 h ALA 87 N 1.67 1.00 0.00 6.16 0.00 -1.15 -0.97 119.26 125.97 2dm8 h ALA 87 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dm8 h ALA 87 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dm8 h ALA 87 CO -0.02 0.00 -1.24 1.28 0.00 0.00 0.00 179.25 179.27 2dm8 n LEU 88 N -2.41 0.56 0.02 0.00 4.77 -0.29 -4.04 117.00 115.61 2dm8 n LEU 88 Ca -0.00 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2dm8 n LEU 88 Cb 0.14 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2dm8 n LEU 88 CO 0.16 -0.06 -0.34 0.03 -1.33 0.00 0.00 177.39 175.86 2dm8 h ARG 89 N 0.00 0.00 -0.49 3.23 3.08 -1.08 -3.31 114.38 115.81 2dm8 h ARG 89 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dm8 h ARG 89 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2dm8 h ARG 89 CO 0.00 0.42 0.00 1.04 -1.07 0.00 0.00 179.97 180.36 2dm8 n GLN 90 N -2.99 2.10 -2.95 0.04 6.02 -0.82 -4.90 117.38 113.88 2dm8 n GLN 90 Ca -0.12 -1.28 -0.37 0.00 -0.01 0.00 0.00 57.00 55.23 2dm8 n GLN 90 Cb 0.93 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.67 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2dm8 s THR 91 N -1.63 4.38 0.00 5.09 -4.23 -1.25 -5.07 115.64 112.93 2dm8 s THR 91 Ca 0.23 1.59 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 2dm8 s THR 91 Cb 0.14 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2dm8 s THR 91 CO 0.13 0.24 0.00 -0.81 -0.54 0.00 0.00 174.62 173.64 2dm8 n PRO 92 N 0.82 0.21 0.19 3.99 -0.04 -1.26 -4.96 135.00 133.96 2dm8 n PRO 92 Ca -0.01 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2dm8 n PRO 92 Cb 0.50 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.88 2dm8 n PRO 92 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dm8 h GLN 93 N 0.00 -0.45 -4.62 0.54 4.20 -1.94 -3.34 115.11 109.50 2dm8 h GLN 93 Ca 0.00 0.03 -0.74 0.00 0.06 0.00 0.00 58.65 58.00 2dm8 h GLN 93 Cb 0.00 0.10 -0.19 0.00 0.30 0.00 0.00 27.48 27.69 2dm8 h GLN 93 CO 0.00 -0.20 1.15 -1.59 -0.67 0.00 0.00 178.83 177.52 2dm8 s LYS 94 N -5.38 4.04 -0.09 1.46 -2.85 -1.26 0.35 119.74 116.00 2dm8 s LYS 94 Ca -0.15 -2.56 -0.29 0.00 -1.00 0.00 0.00 55.97 51.97 2dm8 s LYS 94 Cb 0.03 -4.97 -0.07 0.00 -2.06 0.00 0.00 37.83 30.77 2dm8 s LYS 94 CO 0.59 -1.69 2.07 0.08 0.10 0.00 0.00 175.35 176.50 2dm8 s VAL 95 N 1.32 3.05 -0.23 1.79 1.01 0.16 -4.61 120.40 122.88 2dm8 s VAL 95 Ca 0.39 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 2dm8 s VAL 95 Cb -0.04 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2dm8 s VAL 95 CO -0.02 -0.02 0.04 -0.60 0.00 0.00 0.00 175.10 174.50 2dm8 s ARG 96 N 5.35 3.65 0.26 2.72 3.00 -1.26 -0.88 118.95 131.79 2dm8 s ARG 96 Ca 0.93 -0.49 0.03 0.00 -1.00 0.00 0.00 55.73 55.20 2dm8 s ARG 96 Cb -0.37 -3.23 -0.05 0.00 0.00 0.00 0.00 34.95 31.29 2dm8 s ARG 96 CO 0.38 -0.10 0.04 -0.51 0.00 0.00 0.00 175.30 175.10 2dm8 s LEU 97 N 1.35 2.04 -0.27 -0.88 1.02 -0.31 -0.12 118.68 121.52 2dm8 s LEU 97 Ca 0.05 -1.30 0.01 0.00 0.02 0.00 0.00 54.13 52.92 2dm8 s LEU 97 Cb -0.15 -0.21 0.06 0.00 0.02 0.00 0.00 46.19 45.90 2dm8 s LEU 97 CO 0.02 -0.59 -0.08 -0.69 0.02 0.00 0.00 176.35 175.03 2dm8 s VAL 98 N -3.49 2.42 0.07 -1.59 1.01 -0.97 -0.77 120.40 117.09 2dm8 s VAL 98 Ca 0.33 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.79 2dm8 s VAL 98 Cb 0.07 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2dm8 s VAL 98 CO 0.11 -0.03 0.10 0.68 0.00 0.00 0.00 175.10 175.96 2dm8 s VAL 99 N 1.15 4.67 -0.13 2.92 -7.23 -0.69 -1.52 120.40 119.57 2dm8 s VAL 99 Ca -0.07 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2dm8 s VAL 99 Cb -0.20 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.53 2dm8 s VAL 99 CO -0.04 0.14 -0.02 -0.47 -0.31 0.00 0.00 175.10 174.40 2dm8 s TYR 100 N -1.39 1.19 -0.69 2.82 5.04 -1.02 -2.30 117.35 121.01 2dm8 s TYR 100 Ca 0.30 -0.67 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 2dm8 s TYR 100 Cb -0.12 -1.07 0.17 0.00 0.35 0.00 0.00 41.96 41.28 2dm8 s TYR 100 CO 0.22 -0.50 0.49 0.50 -1.34 0.00 0.00 175.55 174.92 2dm8 s ARG 101 N 1.80 2.55 0.98 4.97 3.52 -1.26 -4.10 118.95 127.41 2dm8 s ARG 101 Ca 0.03 -2.99 -0.15 0.00 -0.13 0.00 0.00 55.73 52.48 2dm8 s ARG 101 Cb -0.14 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.66 2dm8 s ARG 101 CO -0.07 -1.22 -0.02 -3.47 -0.81 0.00 0.00 175.30 169.71 2dm8 n ASP 102 N 2.64 -3.14 -1.67 -2.12 2.03 -1.26 -2.80 116.55 110.23 2dm8 n ASP 102 Ca 0.14 0.23 -0.17 0.00 0.52 0.00 0.00 54.79 55.51 2dm8 n ASP 102 Cb 0.35 -1.04 0.08 0.00 -0.72 0.00 0.00 41.12 39.79 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2dm8 n GLU 103 N -0.53 2.98 -3.10 -0.67 -0.00 -1.26 -4.59 120.64 113.47 2dm8 n GLU 103 Ca 0.03 -3.85 -0.45 0.00 -0.00 0.00 0.00 57.16 52.90 2dm8 n GLU 103 Cb 0.56 -2.10 -0.03 0.00 -0.00 0.00 0.00 31.44 29.87 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dm8 s ALA 104 N -3.51 3.56 -1.47 -1.84 0.00 -1.26 -4.42 121.76 112.81 2dm8 s ALA 104 Ca 0.49 -2.67 -0.12 0.00 0.00 0.00 0.00 51.96 49.66 2dm8 s ALA 104 Cb 0.41 -3.71 0.06 0.00 0.00 0.00 0.00 23.12 19.88 2dm8 s ALA 104 CO 0.01 -2.56 0.98 0.72 0.00 0.00 0.00 175.76 174.92 2dm8 n HIS 105 N 5.85 -2.42 -0.27 0.00 8.25 -1.26 -4.85 115.22 120.52 2dm8 n HIS 105 Ca 0.08 0.88 0.08 0.00 -0.26 0.00 0.00 57.72 58.50 2dm8 n HIS 105 Cb 0.46 -4.25 0.22 0.00 1.12 0.00 0.00 29.99 27.54 2dm8 n HIS 105 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2dm8 h TYR 106 N -2.14 0.42 -2.55 4.41 3.20 -1.87 -3.40 116.97 115.04 2dm8 h TYR 106 Ca -0.56 0.04 -0.52 0.00 3.14 0.00 0.00 58.73 60.82 2dm8 h TYR 106 Cb 1.37 -0.06 0.05 0.00 1.54 0.00 0.00 36.73 39.62 2dm8 h TYR 106 CO 0.55 -0.06 1.09 0.54 -1.64 0.00 0.00 178.16 178.64 2dm8 n ARG 107 N -5.10 2.81 -1.35 1.82 3.00 -1.26 -4.98 116.66 111.60 2dm8 n ARG 107 Ca 0.17 1.02 -0.29 0.00 -0.01 0.00 0.00 57.85 58.74 2dm8 n ARG 107 Cb 0.52 -2.90 0.18 0.00 0.00 0.00 0.00 32.46 30.25 2dm8 n ARG 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2dm8 s ASP 108 N 2.24 2.63 0.07 0.55 2.15 -1.26 -4.88 116.67 118.16 2dm8 s ASP 108 Ca 0.80 0.91 -0.34 0.00 0.43 0.00 0.00 52.55 54.34 2dm8 s ASP 108 Cb -0.48 -1.41 -0.13 0.00 -0.30 0.00 0.00 42.92 40.60 2dm8 s ASP 108 CO 0.35 -3.10 1.68 -0.62 -0.17 0.00 0.00 175.17 173.32 2dm8 n GLU 109 N -4.12 2.13 -3.82 4.34 -0.58 -1.26 -1.60 120.64 115.74 2dm8 n GLU 109 Ca 0.08 0.77 -0.25 0.00 -0.42 0.00 0.00 57.16 57.34 2dm8 n GLU 109 Cb 0.59 -2.57 0.02 0.00 -0.57 0.00 0.00 31.44 28.91 2dm8 n GLU 109 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2dm8 n GLU 110 N 4.54 -4.90 -3.82 3.49 2.13 -1.26 -4.94 120.64 115.87 2dm8 n GLU 110 Ca 0.19 0.58 -0.33 0.00 0.66 0.00 0.00 57.16 58.26 2dm8 n GLU 110 Cb 0.29 -5.21 -0.12 0.00 0.27 0.00 0.00 31.44 26.67 2dm8 n GLU 110 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dm8 s SER 111 N -3.97 4.83 -0.05 4.31 0.15 -0.63 -5.06 113.70 113.28 2dm8 s SER 111 Ca 0.25 -3.00 -0.13 0.00 0.70 0.00 0.00 55.95 53.77 2dm8 s SER 111 Cb -0.13 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.45 2dm8 s SER 111 CO 0.83 -0.29 0.31 -0.83 1.20 0.00 0.00 173.24 174.46 2dm8 s GLY 112 N 0.13 -0.17 0.00 9.45 0.00 -1.26 -4.62 107.32 110.84 2dm8 s GLY 112 Ca 0.18 0.50 0.15 0.00 0.00 0.00 0.00 44.72 45.54 2dm8 s GLY 112 CO -0.03 0.32 1.39 -1.55 0.00 0.00 0.00 173.10 173.23 2dm8 n PRO 113 N 1.81 0.27 -3.37 2.90 -0.04 -1.26 -4.70 135.00 130.61 2dm8 n PRO 113 Ca -0.19 0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 2dm8 n PRO 113 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2dm8 n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm8 s SER 114 N -2.45 6.73 0.06 3.54 0.15 -1.26 -5.07 113.70 115.40 2dm8 s SER 114 Ca 0.16 0.87 -0.20 0.00 0.70 0.00 0.00 55.95 57.47 2dm8 s SER 114 Cb 0.10 -2.28 0.05 0.00 -1.71 0.00 0.00 66.02 62.18 2dm8 s SER 114 CO 0.21 0.10 0.47 -0.94 1.20 0.00 0.00 173.24 174.29 2dm8 s SER 115 N 0.08 -0.36 0.00 5.45 1.04 -1.26 -5.11 113.70 113.54 2dm8 s SER 115 Ca 0.25 0.03 0.21 0.00 0.48 0.00 0.00 55.95 56.93 2dm8 s SER 115 Cb -0.16 0.47 1.28 0.00 0.10 0.00 0.00 66.02 67.72 2dm8 s SER 115 CO 0.11 -0.74 1.66 0.61 0.98 0.00 0.00 173.24 175.87