#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 -0.36 0.04 1.61 1.04 -1.26 -5.15 113.70 109.62 2dm8 s SER 2 Ca 0.00 -0.36 -0.24 0.00 0.48 0.00 0.00 55.95 55.83 2dm8 s SER 2 Cb 0.00 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.72 2dm8 s SER 2 CO 0.00 -1.16 0.71 -0.44 0.98 0.00 0.00 173.24 173.33 2dm8 s SER 3 N -2.85 7.16 0.00 7.02 0.01 -1.26 -5.02 113.70 118.76 2dm8 s SER 3 Ca 0.07 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2dm8 s SER 3 Cb -0.04 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2dm8 s SER 3 CO -0.01 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2dm8 n GLY 4 N 2.31 0.36 3.69 3.44 0.00 -1.26 -5.01 105.19 108.71 2dm8 n GLY 4 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2dm8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 s SER 5 N -0.20 7.03 -0.15 1.61 0.01 -1.26 -5.02 113.70 115.72 2dm8 s SER 5 Ca 0.00 1.85 -0.09 0.00 1.31 0.00 0.00 55.95 59.03 2dm8 s SER 5 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 2dm8 s SER 5 CO 0.00 -0.59 0.15 -0.44 0.41 0.00 0.00 173.24 172.77 2dm8 s SER 6 N 1.50 6.33 0.38 2.44 0.01 -1.26 -5.08 113.70 118.02 2dm8 s SER 6 Ca 0.57 0.39 -0.25 0.00 1.31 0.00 0.00 55.95 57.97 2dm8 s SER 6 Cb -0.26 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 2dm8 s SER 6 CO 0.23 0.29 1.05 -0.83 0.41 0.00 0.00 173.24 174.39 2dm8 s GLY 7 N -0.35 2.77 0.00 3.44 0.00 -1.26 -4.92 107.32 107.00 2dm8 s GLY 7 Ca 0.12 0.71 0.16 0.00 0.00 0.00 0.00 44.72 45.71 2dm8 s GLY 7 CO 0.02 1.16 1.35 -1.55 0.00 0.00 0.00 173.10 174.08 2dm8 n PRO 8 N 0.09 0.45 -0.07 2.90 -0.04 -1.26 -2.81 135.00 134.26 2dm8 n PRO 8 Ca 0.04 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 2dm8 n PRO 8 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2dm8 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dm8 n ALA 9 N -1.04 1.97 0.34 0.55 0.00 -1.26 -3.86 120.51 117.21 2dm8 n ALA 9 Ca 0.11 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 53.02 2dm8 n ALA 9 Cb 0.06 0.28 0.20 0.00 0.00 0.00 0.00 19.45 19.99 2dm8 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dm8 n THR 10 N -3.45 1.16 -4.61 0.00 -2.24 -1.19 -4.62 114.28 99.34 2dm8 n THR 10 Ca -0.27 0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 2dm8 n THR 10 Cb 0.72 -1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 67.69 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 n PRO 12 N 1.73 -1.60 -3.23 0.00 -0.04 -1.26 -4.90 135.00 125.69 2dm8 n PRO 12 Ca -0.16 -0.47 -0.46 0.00 -0.04 0.00 0.00 63.50 62.37 2dm8 n PRO 12 Cb 0.52 -0.44 -0.04 0.00 -0.04 0.00 0.00 33.50 33.51 2dm8 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dm8 s ILE 13 N -1.53 5.22 -0.09 0.52 1.01 -1.26 -5.01 121.20 120.06 2dm8 s ILE 13 Ca 0.19 -1.75 -0.29 0.00 0.00 0.00 0.00 60.65 58.79 2dm8 s ILE 13 Cb -0.02 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 2dm8 s ILE 13 CO 0.15 -1.05 1.60 0.54 0.00 0.00 0.00 174.94 176.18 2dm8 s VAL 14 N 1.43 3.69 0.64 2.92 0.11 -1.26 -4.94 120.40 122.98 2dm8 s VAL 14 Ca 0.13 0.82 -0.16 0.00 -2.93 0.00 0.00 61.98 59.85 2dm8 s VAL 14 Cb -0.19 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2dm8 s VAL 14 CO -0.02 -0.10 1.11 -2.16 -3.33 0.00 0.00 175.10 170.60 2dm8 s PRO 15 N 4.07 2.89 0.00 1.54 0.04 -1.26 -3.47 135.00 138.81 2dm8 s PRO 15 Ca 0.71 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2dm8 s PRO 15 Cb -0.31 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2dm8 s PRO 15 CO 0.27 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2dm8 n GLY 16 N -0.42 0.94 3.45 0.56 0.00 -1.17 -4.89 105.19 103.66 2dm8 n GLY 16 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2dm8 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm8 s GLN 17 N 0.00 3.47 -0.00 1.61 -0.21 -1.23 -5.02 119.66 118.28 2dm8 s GLN 17 Ca 0.00 -0.62 -0.35 0.00 0.02 0.00 0.00 55.36 54.41 2dm8 s GLN 17 Cb 0.00 -3.50 -0.14 0.00 1.00 0.00 0.00 33.01 30.37 2dm8 s GLN 17 CO 0.00 -0.33 1.68 0.39 -2.12 0.00 0.00 175.29 174.90 2dm8 n GLU 18 N 4.97 1.87 -4.47 2.91 1.02 -1.26 -4.63 120.64 121.05 2dm8 n GLU 18 Ca -0.15 0.68 -0.24 0.00 -0.02 0.00 0.00 57.16 57.44 2dm8 n GLU 18 Cb 0.50 -2.45 -0.10 0.00 -0.02 0.00 0.00 31.44 29.37 2dm8 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm8 s MET 19 N 2.37 1.66 -0.07 3.49 0.23 -1.17 -5.04 119.30 120.77 2dm8 s MET 19 Ca 0.87 -1.78 0.02 0.00 -1.03 0.00 0.00 55.69 53.77 2dm8 s MET 19 Cb -0.78 -1.67 -0.03 0.00 -1.53 0.00 0.00 34.83 30.83 2dm8 s MET 19 CO 0.48 0.27 -0.11 0.42 -2.03 0.00 0.00 175.02 174.05 2dm8 s ILE 20 N -2.60 3.34 -0.08 3.16 1.09 -1.26 -2.33 121.20 122.53 2dm8 s ILE 20 Ca 0.30 -0.61 0.04 0.00 -1.10 0.00 0.00 60.65 59.28 2dm8 s ILE 20 Cb -0.03 -2.35 -0.01 0.00 -1.06 0.00 0.00 42.46 39.01 2dm8 s ILE 20 CO 0.14 0.59 -0.21 0.27 -0.10 0.00 0.00 174.94 175.63 2dm8 s ILE 21 N -0.63 2.43 -0.17 2.92 -4.36 0.27 -4.50 121.20 117.16 2dm8 s ILE 21 Ca 0.09 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 2dm8 s ILE 21 Cb -0.11 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.68 2dm8 s ILE 21 CO 0.01 0.56 -0.20 -0.70 0.24 0.00 0.00 174.94 174.86 2dm8 s GLU 22 N -0.08 2.94 -0.05 0.37 2.12 -1.25 -1.08 118.70 121.65 2dm8 s GLU 22 Ca -0.05 -0.81 0.06 0.00 0.36 0.00 0.00 54.97 54.53 2dm8 s GLU 22 Cb -0.14 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 2dm8 s GLU 22 CO 0.04 -0.18 -0.23 0.42 -0.54 0.00 0.00 175.26 174.77 2dm8 s ILE 23 N 1.23 2.25 -0.42 -3.70 1.01 -0.68 -4.64 121.20 116.25 2dm8 s ILE 23 Ca 0.03 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 2dm8 s ILE 23 Cb -0.13 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.53 2dm8 s ILE 23 CO -0.11 0.57 0.46 -0.55 0.00 0.00 0.00 174.94 175.31 2dm8 s SER 24 N -0.29 6.21 -0.28 3.58 0.15 -1.26 -0.71 113.70 121.10 2dm8 s SER 24 Ca 0.01 -0.59 -0.33 0.00 0.70 0.00 0.00 55.95 55.73 2dm8 s SER 24 Cb -0.13 -2.24 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2dm8 s SER 24 CO 0.02 -0.59 2.16 0.29 1.20 0.00 0.00 173.24 176.33 2dm8 n LYS 25 N 5.68 1.46 -1.66 5.44 5.02 -0.05 -4.82 118.16 129.21 2dm8 n LYS 25 Ca -0.07 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.22 2dm8 n LYS 25 Cb 0.48 -2.71 -0.02 0.00 -0.02 0.00 0.00 35.03 32.75 2dm8 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dm8 n GLY 26 N 6.07 3.35 4.07 0.72 0.00 -1.26 -4.37 105.19 113.76 2dm8 n GLY 26 Ca 0.36 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 2dm8 n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dm8 n ARG 27 N 6.83 -3.42 -3.61 1.61 0.63 -1.26 -4.91 116.66 112.53 2dm8 n ARG 27 Ca 0.50 0.40 -0.03 0.00 -0.92 0.00 0.00 57.85 57.81 2dm8 n ARG 27 Cb 0.41 -4.84 -0.01 0.00 0.45 0.00 0.00 32.46 28.47 2dm8 n ARG 27 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2dm8 s SER 28 N -3.84 -0.15 -0.02 6.15 0.01 -1.26 -5.15 113.70 109.45 2dm8 s SER 28 Ca 0.36 -0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.28 2dm8 s SER 28 Cb -0.20 0.23 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 2dm8 s SER 28 CO 0.90 -0.40 0.71 -0.83 0.41 0.00 0.00 173.24 174.02 2dm8 s GLY 29 N -2.61 2.68 0.20 3.44 0.00 -1.26 -4.79 107.32 104.98 2dm8 s GLY 29 Ca 0.11 0.17 -0.22 0.00 0.00 0.00 0.00 44.72 44.77 2dm8 s GLY 29 CO -0.04 1.08 0.36 1.04 0.00 0.00 0.00 173.10 175.54 2dm8 n LEU 30 N 3.27 -1.34 -3.46 0.66 4.77 -1.26 -4.64 117.00 115.00 2dm8 n LEU 30 Ca -0.03 0.89 -0.30 0.00 -0.03 0.00 0.00 56.01 56.55 2dm8 n LEU 30 Cb 0.51 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 2dm8 n LEU 30 CO 0.46 -2.74 0.33 0.61 -1.33 0.00 0.00 177.39 174.73 2dm8 n GLY 31 N 1.75 5.07 3.39 -0.72 0.00 -1.26 -4.86 105.19 108.55 2dm8 n GLY 31 Ca 0.14 -2.75 -0.20 0.00 0.00 0.00 0.00 46.02 43.20 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 -2.78 1.81 0.10 0.99 0.05 -1.26 -1.40 118.68 116.19 2dm8 s LEU 32 Ca 0.40 -1.54 0.03 0.00 0.05 0.00 0.00 54.13 53.07 2dm8 s LEU 32 Cb 0.15 0.02 -0.04 0.00 -2.05 0.00 0.00 46.19 44.28 2dm8 s LEU 32 CO -0.01 -0.84 -0.08 -0.55 -0.55 0.00 0.00 176.35 174.32 2dm8 s SER 33 N -3.44 1.27 0.22 1.48 0.15 0.01 -4.92 113.70 108.49 2dm8 s SER 33 Ca 0.33 -0.90 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 2dm8 s SER 33 Cb 0.05 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 2dm8 s SER 33 CO 0.16 -0.36 0.12 0.27 1.20 0.00 0.00 173.24 174.63 2dm8 s ILE 34 N -2.99 0.17 -0.11 6.45 -4.36 -1.26 -3.04 121.20 116.07 2dm8 s ILE 34 Ca 0.08 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.37 2dm8 s ILE 34 Cb 0.01 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.21 2dm8 s ILE 34 CO -0.02 0.00 0.29 0.68 0.24 0.00 0.00 174.94 176.13 2dm8 s VAL 35 N -4.01 -0.01 0.00 8.37 -7.23 0.12 -4.68 120.40 112.96 2dm8 s VAL 35 Ca 0.39 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 2dm8 s VAL 35 Cb 0.07 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.59 2dm8 s VAL 35 CO 0.13 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2dm8 n GLY 36 N 3.14 0.04 0.00 2.32 0.00 -1.26 -2.02 105.19 107.41 2dm8 n GLY 36 Ca -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 0.61 0.81 -0.02 0.00 -1.10 -3.06 105.19 102.42 2dm8 n GLY 37 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 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 0.13 0.00 1.61 5.02 -1.26 -4.42 118.16 119.24 2dm8 n LYS 38 Ca 0.00 0.05 0.09 0.00 -2.02 0.00 0.00 58.31 56.43 2dm8 n LYS 38 Cb 0.00 -0.73 0.46 0.00 -0.02 0.00 0.00 35.03 34.74 2dm8 n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dm8 n ASP 39 N -3.54 0.00 -4.91 4.39 8.00 -1.26 -4.76 116.55 114.47 2dm8 n ASP 39 Ca -0.08 -0.11 -0.27 0.00 0.71 0.00 0.00 54.79 55.05 2dm8 n ASP 39 Cb 0.33 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dm8 s THR 40 N -2.43 4.96 -1.34 -3.53 -4.23 -1.26 -4.97 115.64 102.84 2dm8 s THR 40 Ca 0.19 0.06 0.15 0.00 -1.18 0.00 0.00 61.69 60.90 2dm8 s THR 40 Cb 0.12 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.33 2dm8 s THR 40 CO 0.25 -0.74 1.42 -0.81 -0.54 0.00 0.00 174.62 174.20 2dm8 n PRO 41 N -2.03 0.17 -4.31 3.99 -0.04 -1.26 -4.56 135.00 126.97 2dm8 n PRO 41 Ca -0.01 0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 2dm8 n PRO 41 Cb 0.55 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.66 2.15 -0.13 1.53 2.34 -1.26 -4.99 118.68 115.65 2dm8 s LEU 42 Ca 0.12 -0.62 0.03 0.00 0.06 0.00 0.00 54.13 53.72 2dm8 s LEU 42 Cb 0.10 -1.48 0.26 0.00 -0.56 0.00 0.00 46.19 44.51 2dm8 s LEU 42 CO 0.23 0.03 1.20 -0.46 -1.06 0.00 0.00 176.35 176.29 2dm8 n ASN 43 N 4.43 3.07 -3.76 1.48 6.94 -1.26 -2.73 115.26 123.43 2dm8 n ASN 43 Ca -0.21 -2.49 -0.14 0.00 -0.02 0.00 0.00 54.58 51.73 2dm8 n ASN 43 Cb 0.51 -0.60 -0.14 0.00 -2.36 0.00 0.00 39.78 37.18 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dm8 s ALA 44 N -1.32 -0.23 0.33 -2.53 0.00 -1.26 -4.73 121.76 112.01 2dm8 s ALA 44 Ca 0.20 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.46 2dm8 s ALA 44 Cb 0.16 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2dm8 s ALA 44 CO 0.04 -0.14 1.17 0.42 0.00 0.00 0.00 175.76 177.26 2dm8 s ILE 45 N 0.99 3.20 -0.02 0.00 -1.09 -1.26 -4.57 121.20 118.44 2dm8 s ILE 45 Ca -0.08 1.15 -0.05 0.00 -2.23 0.00 0.00 60.65 59.45 2dm8 s ILE 45 Cb -0.10 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.07 2dm8 s ILE 45 CO -0.05 0.23 0.11 -0.69 -1.23 0.00 0.00 174.94 173.31 2dm8 s VAL 46 N -1.23 0.04 -0.69 2.92 1.01 -0.86 -2.61 120.40 118.97 2dm8 s VAL 46 Ca 0.49 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 2dm8 s VAL 46 Cb -0.33 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 35.84 2dm8 s VAL 46 CO 0.43 -0.16 1.09 -0.63 0.00 0.00 0.00 175.10 175.83 2dm8 s ILE 47 N -0.51 4.09 0.04 2.22 1.01 -1.17 0.10 121.20 126.98 2dm8 s ILE 47 Ca -0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 2dm8 s ILE 47 Cb -0.04 -4.77 -0.17 0.00 0.01 0.00 0.00 42.46 37.49 2dm8 s ILE 47 CO 0.00 -1.61 1.49 -0.74 0.00 0.00 0.00 174.94 174.09 2dm8 h HIS 48 N 9.74 -0.17 -3.56 3.97 -0.00 -1.81 -1.40 115.15 121.93 2dm8 h HIS 48 Ca -0.28 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.95 2dm8 h HIS 48 Cb 1.06 0.06 -0.19 0.00 -0.00 0.00 0.00 27.41 28.33 2dm8 h HIS 48 CO 1.03 0.07 -0.48 -2.00 -0.00 0.00 0.00 177.93 176.55 2dm8 s GLU 49 N -5.33 0.54 -0.31 5.26 2.56 -1.26 -4.71 118.70 115.45 2dm8 s GLU 49 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 54.97 54.33 2dm8 s GLU 49 Cb 0.04 0.22 0.10 0.00 2.00 0.00 0.00 34.13 36.49 2dm8 s GLU 49 CO 0.63 -0.14 0.08 0.08 -0.56 0.00 0.00 175.26 175.36 2dm8 s VAL 50 N -1.79 1.25 -0.06 3.70 1.01 -1.26 -0.80 120.40 122.44 2dm8 s VAL 50 Ca -0.11 -1.62 -0.39 0.00 0.00 0.00 0.00 61.98 59.86 2dm8 s VAL 50 Cb -0.05 -1.92 -0.17 0.00 0.00 0.00 0.00 36.38 34.23 2dm8 s VAL 50 CO -0.00 -0.63 1.40 -1.22 0.00 0.00 0.00 175.10 174.65 2dm8 n TYR 51 N 4.69 1.47 1.17 5.22 4.01 -0.50 -4.80 117.16 128.42 2dm8 n TYR 51 Ca -0.01 0.75 0.11 0.00 -0.16 0.00 0.00 57.90 58.59 2dm8 n TYR 51 Cb 0.42 -2.30 0.60 0.00 -0.31 0.00 0.00 39.34 37.75 2dm8 n TYR 51 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2dm8 n GLU 52 N 3.07 0.44 -0.22 -0.72 0.28 -1.26 -2.29 120.64 119.93 2dm8 n GLU 52 Ca 0.22 0.05 0.06 0.00 -0.16 0.00 0.00 57.16 57.34 2dm8 n GLU 52 Cb 0.13 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.68 2dm8 n GLU 52 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2dm8 n GLU 53 N -1.20 2.88 -4.00 3.44 0.00 -1.26 -4.57 120.64 115.93 2dm8 n GLU 53 Ca 0.13 -2.18 -0.22 0.00 0.00 0.00 0.00 57.16 54.89 2dm8 n GLU 53 Cb 0.15 -1.34 -0.05 0.00 0.00 0.00 0.00 31.44 30.20 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2dm8 s GLY 54 N -1.04 1.79 0.13 -1.84 0.00 -0.97 -4.94 107.32 100.44 2dm8 s GLY 54 Ca 0.28 -1.69 -0.33 0.00 0.00 0.00 0.00 44.72 42.97 2dm8 s GLY 54 CO 0.18 -1.64 1.55 0.00 0.00 0.00 0.00 173.10 173.18 2dm8 h ALA 55 N 1.44 -0.82 -0.97 3.20 0.00 -1.87 -0.77 119.26 119.48 2dm8 h ALA 55 Ca -0.45 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.64 2dm8 h ALA 55 Cb 1.25 1.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.94 2dm8 h ALA 55 CO 0.61 -1.07 -0.20 0.00 0.00 0.00 0.00 179.25 178.59 2dm8 n ALA 56 N -3.05 0.27 0.41 0.00 0.00 -1.26 -0.84 120.51 116.03 2dm8 n ALA 56 Ca -0.04 1.06 -0.18 0.00 0.00 0.00 0.00 53.44 54.28 2dm8 n ALA 56 Cb 0.36 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 2dm8 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 h ALA 57 N 1.93 -1.04 -0.80 0.00 0.00 -1.32 -2.50 119.26 115.53 2dm8 h ALA 57 Ca 0.48 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 55.44 2dm8 h ALA 57 Cb 0.78 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 2dm8 h ALA 57 CO -0.98 -1.02 0.23 0.54 0.00 0.00 0.00 179.25 178.01 2dm8 n ARG 58 N -5.50 -0.06 0.13 0.00 5.12 -0.02 0.51 116.66 116.84 2dm8 n ARG 58 Ca -0.14 1.16 -0.12 0.00 -1.93 0.00 0.00 57.85 56.81 2dm8 n ARG 58 Cb 0.42 -1.95 -0.08 0.00 -1.16 0.00 0.00 32.46 29.69 2dm8 n ARG 58 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2dm8 h ASP 59 N 0.00 -0.31 0.00 0.55 1.82 -1.25 -3.48 116.42 113.74 2dm8 h ASP 59 Ca 0.59 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2dm8 h ASP 59 Cb 1.41 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.50 2dm8 h ASP 59 CO -0.69 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 177.66 2dm8 n GLY 60 N -0.04 1.04 0.15 -0.78 0.00 0.18 -5.00 105.19 100.74 2dm8 n GLY 60 Ca -0.09 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 2dm8 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 n ARG 61 N -1.20 0.55 -2.54 1.61 5.12 -1.26 -4.91 116.66 114.04 2dm8 n ARG 61 Ca 0.00 0.23 -0.43 0.00 -1.93 0.00 0.00 57.85 55.72 2dm8 n ARG 61 Cb 0.24 -1.43 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 2dm8 n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dm8 s LEU 62 N -7.63 3.92 -0.08 0.55 1.43 -1.26 -4.97 118.68 110.63 2dm8 s LEU 62 Ca -0.34 1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2dm8 s LEU 62 Cb 0.10 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2dm8 s LEU 62 CO 0.45 -0.97 -0.01 0.26 0.23 0.00 0.00 176.35 176.31 2dm8 s TRP 63 N 3.96 3.12 -0.32 0.29 0.51 -1.26 -4.86 118.94 120.38 2dm8 s TRP 63 Ca 0.50 0.16 -0.34 0.00 -2.12 0.00 0.00 56.10 54.30 2dm8 s TRP 63 Cb -0.14 -1.77 -0.10 0.00 -0.81 0.00 0.00 33.47 30.65 2dm8 s TRP 63 CO 0.19 0.45 2.19 0.00 -0.51 0.00 0.00 176.95 179.26 2dm8 n ALA 64 N 2.11 1.20 0.00 0.98 0.00 -1.26 -2.68 120.51 120.85 2dm8 n ALA 64 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2dm8 n ALA 64 Cb 0.53 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 6.34 1.23 4.00 0.00 0.00 -0.53 -5.01 105.19 111.22 2dm8 n GLY 65 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.32 5.00 -0.24 1.61 1.01 -1.09 -4.90 116.67 116.74 2dm8 s ASP 66 Ca 0.00 -0.41 -0.01 0.00 0.71 0.00 0.00 52.55 52.84 2dm8 s ASP 66 Cb 0.00 -0.26 0.07 0.00 1.01 0.00 0.00 42.92 43.74 2dm8 s ASP 66 CO 0.00 -1.36 0.03 -1.10 0.21 0.00 0.00 175.17 172.96 2dm8 s GLN 67 N -4.79 0.94 0.37 8.23 -0.21 -1.26 -3.02 119.66 119.92 2dm8 s GLN 67 Ca 0.61 -0.80 -0.24 0.00 0.02 0.00 0.00 55.36 54.95 2dm8 s GLN 67 Cb -0.08 -2.22 -0.10 0.00 1.00 0.00 0.00 33.01 31.61 2dm8 s GLN 67 CO 0.39 -0.75 0.96 0.42 -2.12 0.00 0.00 175.29 174.20 2dm8 s ILE 68 N 1.64 4.21 0.00 1.08 1.09 -1.07 -2.07 121.20 126.07 2dm8 s ILE 68 Ca 0.01 1.63 0.00 0.00 -1.10 0.00 0.00 60.65 61.20 2dm8 s ILE 68 Cb -0.18 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 2dm8 s ILE 68 CO -0.13 -0.05 0.00 0.18 -0.10 0.00 0.00 174.94 174.85 2dm8 n LEU 69 N 0.03 0.00 -3.49 2.97 4.77 0.06 -4.22 117.00 117.12 2dm8 n LEU 69 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2dm8 n LEU 69 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2dm8 n LEU 69 CO 0.42 0.00 0.35 -0.70 -1.33 0.00 0.00 177.39 176.13 2dm8 s GLU 70 N -1.96 1.17 -0.08 3.23 2.12 -1.24 -2.61 118.70 119.34 2dm8 s GLU 70 Ca 0.00 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.94 2dm8 s GLU 70 Cb 0.00 0.54 0.03 0.00 0.26 0.00 0.00 34.13 34.96 2dm8 s GLU 70 CO 0.00 -0.47 0.18 0.54 -0.54 0.00 0.00 175.26 174.97 2dm8 s VAL 71 N -3.13 -0.03 -0.30 3.70 0.11 -0.83 -1.68 120.40 118.23 2dm8 s VAL 71 Ca -0.02 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2dm8 s VAL 71 Cb -0.00 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2dm8 s VAL 71 CO -0.07 0.05 0.05 -3.20 -3.33 0.00 0.00 175.10 168.60 2dm8 n ASN 72 N 3.84 -1.53 -0.40 3.54 2.85 0.10 0.15 115.26 123.81 2dm8 n ASN 72 Ca -0.22 0.32 -0.01 0.00 -0.11 0.00 0.00 54.58 54.57 2dm8 n ASN 72 Cb 0.54 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 40.15 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 -0.60 0.72 2.68 8.20 0.00 -1.26 -5.05 105.19 109.88 2dm8 n GLY 73 Ca -0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.67 0.35 0.19 1.61 1.01 0.40 -5.12 120.40 116.18 2dm8 s VAL 74 Ca 0.01 -0.65 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 2dm8 s VAL 74 Cb -0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 36.38 35.19 2dm8 s VAL 74 CO 0.01 -0.39 1.27 -0.67 0.00 0.00 0.00 175.10 175.33 2dm8 n ASP 75 N 5.10 1.93 -0.01 3.32 -0.08 -1.26 -1.98 116.55 123.57 2dm8 n ASP 75 Ca -0.07 1.14 -0.01 0.00 -1.51 0.00 0.00 54.79 54.34 2dm8 n ASP 75 Cb 0.46 -1.30 -0.01 0.00 2.34 0.00 0.00 41.12 42.61 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dm8 n LEU 76 N 2.14 0.00 0.21 -2.67 4.77 -1.07 -4.22 117.00 116.15 2dm8 n LEU 76 Ca 0.14 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2dm8 n LEU 76 Cb 0.27 0.04 0.51 0.00 -2.33 0.00 0.00 43.42 41.91 2dm8 n LEU 76 CO 0.62 0.04 1.12 0.08 -1.33 0.00 0.00 177.39 177.91 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 0.11 -1.81 0.22 114.38 116.13 2dm8 h ARG 77 Ca -0.04 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.90 2dm8 h ARG 77 Cb 0.95 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.00 2dm8 h ARG 77 CO 0.00 0.00 -1.59 -1.71 0.10 0.00 0.00 179.97 176.77 2dm8 n ASN 78 N -2.98 2.76 -4.74 0.08 5.15 -1.26 -4.62 115.26 109.65 2dm8 n ASN 78 Ca 0.04 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.65 2dm8 n ASN 78 Cb 0.78 0.86 0.05 0.00 -0.53 0.00 0.00 39.78 40.93 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2dm8 s SER 79 N -3.93 4.88 1.14 1.20 0.01 0.77 -4.70 113.70 113.07 2dm8 s SER 79 Ca -0.04 2.55 -0.17 0.00 1.31 0.00 0.00 55.95 59.60 2dm8 s SER 79 Cb 0.03 -2.61 0.24 0.00 0.21 0.00 0.00 66.02 63.89 2dm8 s SER 79 CO 0.38 -1.81 1.00 -0.24 0.41 0.00 0.00 173.24 172.97 2dm8 n SER 80 N -1.71 -1.28 0.40 2.44 2.88 -1.26 -4.00 113.62 111.08 2dm8 n SER 80 Ca 0.15 -1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 56.35 2dm8 n SER 80 Cb 0.48 -0.86 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 2dm8 n SER 80 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2dm8 h HIS 81 N -2.27 -0.93 -0.09 0.66 2.76 -1.83 -2.35 115.15 111.10 2dm8 h HIS 81 Ca -0.36 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.83 2dm8 h HIS 81 Cb 1.05 0.31 -0.06 0.00 1.55 0.00 0.00 27.41 30.26 2dm8 h HIS 81 CO 0.00 -0.58 -0.32 0.93 -1.30 0.00 0.00 177.93 176.66 2dm8 h GLU 82 N -1.02 -0.40 -0.83 5.26 3.07 -1.94 -2.33 114.58 116.38 2dm8 h GLU 82 Ca -0.10 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 58.91 2dm8 h GLU 82 Cb 0.77 0.09 -0.14 0.00 -0.84 0.00 0.00 28.75 28.64 2dm8 h GLU 82 CO 0.17 -0.27 -0.40 0.93 -1.40 0.00 0.00 179.01 178.03 2dm8 h GLU 83 N -0.42 -0.07 -0.87 2.33 4.39 -1.93 0.91 114.58 118.92 2dm8 h GLU 83 Ca 0.08 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.98 2dm8 h GLU 83 Cb 0.55 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 2dm8 h GLU 83 CO -0.33 -0.05 0.58 0.00 -1.16 0.00 0.00 179.01 178.05 2dm8 h ALA 84 N 1.08 2.20 -0.00 3.43 0.00 -0.88 -0.88 119.26 124.19 2dm8 h ALA 84 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2dm8 h ALA 84 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dm8 h ALA 84 CO -0.86 -0.46 -0.00 0.82 0.00 0.00 0.00 179.25 178.74 2dm8 h ILE 85 N 0.40 1.32 -0.71 0.00 1.08 0.11 -3.06 117.51 116.65 2dm8 h ILE 85 Ca 0.45 -0.93 0.02 0.00 -0.39 0.00 0.00 64.86 64.01 2dm8 h ILE 85 Cb 1.11 1.94 -0.04 0.00 -3.07 0.00 0.00 36.82 36.76 2dm8 h ILE 85 CO -0.16 0.24 0.47 0.74 -0.69 0.00 0.00 178.15 178.75 2dm8 h THR 86 N -0.39 1.13 0.00 -0.27 2.02 -0.14 -0.71 112.91 114.55 2dm8 h THR 86 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2dm8 h THR 86 Cb 0.40 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2dm8 h THR 86 CO 0.00 0.16 -0.05 0.00 0.37 0.00 0.00 175.52 176.00 2dm8 h ALA 87 N 1.58 1.47 0.00 6.16 0.00 -1.15 0.12 119.26 127.44 2dm8 h ALA 87 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dm8 h ALA 87 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dm8 h ALA 87 CO -0.07 0.07 -0.40 -0.07 0.00 0.00 0.00 179.25 178.77 2dm8 h LEU 88 N 0.00 0.00 0.00 0.00 3.38 -1.04 -3.28 115.31 114.37 2dm8 h LEU 88 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dm8 h LEU 88 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dm8 h LEU 88 CO 0.01 0.00 -1.51 0.54 0.09 0.00 0.00 178.44 177.57 2dm8 n ARG 89 N -2.87 0.51 -0.39 1.13 1.74 -0.28 -4.05 116.66 112.46 2dm8 n ARG 89 Ca 0.03 -0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.11 2dm8 n ARG 89 Cb 0.53 -1.60 0.26 0.00 -1.02 0.00 0.00 32.46 30.63 2dm8 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dm8 n GLN 90 N -2.22 2.72 -3.24 5.56 1.13 0.26 -4.92 117.38 116.67 2dm8 n GLN 90 Ca -0.01 -2.05 -0.38 0.00 -1.94 0.00 0.00 57.00 52.61 2dm8 n GLN 90 Cb 0.52 -1.61 -0.06 0.00 0.11 0.00 0.00 30.24 29.20 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2dm8 s THR 91 N -1.57 4.70 0.00 5.09 -4.23 -1.24 -5.04 115.64 113.35 2dm8 s THR 91 Ca 0.37 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 2dm8 s THR 91 Cb 0.22 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2dm8 s THR 91 CO 0.21 0.51 0.00 -0.81 -0.54 0.00 0.00 174.62 173.99 2dm8 n PRO 92 N 1.57 0.16 -0.15 3.99 -0.04 -1.26 -4.90 135.00 134.37 2dm8 n PRO 92 Ca -0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 2dm8 n PRO 92 Cb 0.51 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2dm8 n PRO 92 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2dm8 h GLN 93 N 0.00 -0.05 -5.50 0.54 4.15 -1.96 -3.39 115.11 108.91 2dm8 h GLN 93 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 2dm8 h GLN 93 Cb 0.00 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.60 2dm8 h GLN 93 CO 0.00 -0.03 -0.32 0.15 -1.93 0.00 0.00 178.83 176.70 2dm8 s LYS 94 N -6.19 4.26 -0.33 1.69 1.02 -1.26 -0.87 119.74 118.06 2dm8 s LYS 94 Ca -0.14 0.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.93 2dm8 s LYS 94 Cb 0.16 -3.43 0.06 0.00 -0.52 0.00 0.00 37.83 34.10 2dm8 s LYS 94 CO 0.71 0.23 0.06 0.08 -0.92 0.00 0.00 175.35 175.51 2dm8 s VAL 95 N 0.48 3.16 -0.18 3.17 1.01 0.12 -4.96 120.40 123.19 2dm8 s VAL 95 Ca 0.17 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 2dm8 s VAL 95 Cb -0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2dm8 s VAL 95 CO 0.04 -0.24 0.04 -0.60 0.00 0.00 0.00 175.10 174.34 2dm8 s ARG 96 N 1.25 3.87 0.18 2.72 3.00 -1.26 -1.69 118.95 127.02 2dm8 s ARG 96 Ca -0.02 -0.40 0.02 0.00 -1.00 0.00 0.00 55.73 54.33 2dm8 s ARG 96 Cb -0.20 -3.16 -0.05 0.00 0.00 0.00 0.00 34.95 31.54 2dm8 s ARG 96 CO -0.01 0.22 0.01 -0.51 0.00 0.00 0.00 175.30 175.00 2dm8 s LEU 97 N 0.49 2.09 -0.28 -0.88 1.02 -0.24 0.02 118.68 120.89 2dm8 s LEU 97 Ca 0.02 -1.18 -0.00 0.00 0.02 0.00 0.00 54.13 52.98 2dm8 s LEU 97 Cb -0.13 -0.05 0.05 0.00 0.02 0.00 0.00 46.19 46.08 2dm8 s LEU 97 CO 0.01 -0.57 -0.04 -0.69 0.02 0.00 0.00 176.35 175.08 2dm8 s VAL 98 N -3.66 2.73 0.36 -1.59 1.01 -0.68 -0.57 120.40 118.01 2dm8 s VAL 98 Ca 0.25 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.87 2dm8 s VAL 98 Cb 0.06 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2dm8 s VAL 98 CO 0.04 -0.05 0.39 0.68 0.00 0.00 0.00 175.10 176.16 2dm8 s VAL 99 N 1.21 3.43 -0.20 2.92 -7.23 -0.98 -0.76 120.40 118.78 2dm8 s VAL 99 Ca -0.06 -1.22 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 2dm8 s VAL 99 Cb -0.20 -3.18 0.10 0.00 0.56 0.00 0.00 36.38 33.66 2dm8 s VAL 99 CO -0.03 -0.11 0.26 -0.47 -0.31 0.00 0.00 175.10 174.45 2dm8 s TYR 100 N -2.31 -0.43 -0.96 2.82 5.04 -0.88 -3.07 117.35 117.56 2dm8 s TYR 100 Ca 0.45 0.48 -0.10 0.00 -2.44 0.00 0.00 57.07 55.46 2dm8 s TYR 100 Cb -0.07 -0.22 0.25 0.00 0.35 0.00 0.00 41.96 42.26 2dm8 s TYR 100 CO 0.29 -0.59 0.92 0.50 -1.34 0.00 0.00 175.55 175.33 2dm8 s ARG 101 N 2.39 3.82 0.65 4.97 3.52 -1.26 -4.03 118.95 129.00 2dm8 s ARG 101 Ca 0.07 -2.92 -0.17 0.00 -0.13 0.00 0.00 55.73 52.58 2dm8 s ARG 101 Cb -0.15 -4.41 -0.10 0.00 -1.56 0.00 0.00 34.95 28.73 2dm8 s ARG 101 CO -0.12 -1.26 0.15 -0.25 -0.81 0.00 0.00 175.30 173.01 2dm8 n ASP 102 N 3.16 -2.56 -0.02 -2.12 9.92 -1.26 -3.07 116.55 120.61 2dm8 n ASP 102 Ca 0.19 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 55.06 2dm8 n ASP 102 Cb 0.42 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dm8 n GLU 103 N 0.55 2.37 -1.68 -1.24 -0.00 -1.26 -4.76 120.64 114.62 2dm8 n GLU 103 Ca 0.08 -0.32 -0.43 0.00 -0.00 0.00 0.00 57.16 56.50 2dm8 n GLU 103 Cb 0.49 -0.81 -0.03 0.00 -0.00 0.00 0.00 31.44 31.09 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 -0.51 3.01 -1.49 -1.84 0.00 -1.26 -2.93 121.76 116.74 2dm8 s ALA 104 Ca 0.01 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 2dm8 s ALA 104 Cb 0.01 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2dm8 s ALA 104 CO 0.02 -2.39 0.04 0.72 0.00 0.00 0.00 175.76 174.16 2dm8 n HIS 105 N 10.23 -1.23 -0.12 0.00 8.25 -1.26 -4.85 115.22 126.24 2dm8 n HIS 105 Ca 0.26 0.56 -0.24 0.00 -0.26 0.00 0.00 57.72 58.04 2dm8 n HIS 105 Cb 0.44 -2.72 -0.09 0.00 1.12 0.00 0.00 29.99 28.73 2dm8 n HIS 105 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2dm8 n TYR 106 N -4.53 0.34 -4.30 4.41 9.36 -1.15 -4.95 117.16 116.34 2dm8 n TYR 106 Ca -0.31 0.15 -0.35 0.00 3.32 0.00 0.00 57.90 60.71 2dm8 n TYR 106 Cb 0.67 -0.96 -0.10 0.00 -0.63 0.00 0.00 39.34 38.32 2dm8 n TYR 106 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2dm8 s ARG 107 N -2.50 3.34 0.49 2.98 3.52 -1.26 -5.11 118.95 120.42 2dm8 s ARG 107 Ca -0.34 -0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 54.77 2dm8 s ARG 107 Cb 0.11 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 2dm8 s ARG 107 CO 0.50 0.52 0.84 0.34 -0.81 0.00 0.00 175.30 176.68 2dm8 s ASP 108 N -0.36 6.33 1.14 -2.12 2.15 -1.26 -5.06 116.67 117.48 2dm8 s ASP 108 Ca 0.07 1.10 -0.13 0.00 0.43 0.00 0.00 52.55 54.03 2dm8 s ASP 108 Cb -0.12 -2.32 0.27 0.00 -0.30 0.00 0.00 42.92 40.45 2dm8 s ASP 108 CO 0.02 -0.60 1.04 -1.83 -0.17 0.00 0.00 175.17 173.63 2dm8 s GLU 109 N -4.60 -0.70 -0.06 4.34 -1.05 -1.26 -5.05 118.70 110.32 2dm8 s GLU 109 Ca 0.50 0.87 -0.03 0.00 -0.15 0.00 0.00 54.97 56.16 2dm8 s GLU 109 Cb -0.10 -1.58 0.04 0.00 -0.44 0.00 0.00 34.13 32.05 2dm8 s GLU 109 CO 0.43 -3.58 0.12 -2.00 0.95 0.00 0.00 175.26 171.18 2dm8 s GLU 110 N -4.52 -0.01 -0.02 -4.83 2.56 -1.26 -5.04 118.70 105.58 2dm8 s GLU 110 Ca 0.68 0.47 -0.22 0.00 0.00 0.00 0.00 54.97 55.90 2dm8 s GLU 110 Cb -0.24 -0.35 -0.24 0.00 2.00 0.00 0.00 34.13 35.29 2dm8 s GLU 110 CO 0.64 -0.30 1.05 1.03 -0.56 0.00 0.00 175.26 177.11 2dm8 h SER 111 N 8.29 0.39 -1.76 -1.70 0.87 -2.08 -3.50 113.55 114.06 2dm8 h SER 111 Ca -0.15 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 2dm8 h SER 111 Cb 1.12 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2dm8 h SER 111 CO 0.17 1.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.21 2dm8 n GLY 112 N 1.11 -0.47 3.77 5.77 0.00 -1.26 -5.12 105.19 108.98 2dm8 n GLY 112 Ca -0.10 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 2dm8 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm8 s PRO 113 N -1.93 4.19 -0.12 1.61 0.04 -1.26 -5.03 135.00 132.49 2dm8 s PRO 113 Ca 0.00 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2dm8 s PRO 113 Cb 0.00 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2dm8 s PRO 113 CO 0.00 -0.24 0.13 -1.12 0.04 0.00 0.00 177.00 175.81 2dm8 s SER 114 N -0.92 6.27 -0.06 6.66 0.01 -1.26 -5.09 113.70 119.31 2dm8 s SER 114 Ca 0.54 0.43 -0.02 0.00 1.31 0.00 0.00 55.95 58.20 2dm8 s SER 114 Cb -0.34 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 63.91 2dm8 s SER 114 CO 0.43 0.39 0.11 -0.94 0.41 0.00 0.00 173.24 173.64 2dm8 s SER 115 N -0.93 0.45 0.00 2.44 1.04 -1.26 -5.33 113.70 110.12 2dm8 s SER 115 Ca 0.14 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2dm8 s SER 115 Cb -0.12 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2dm8 s SER 115 CO 0.03 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.67