#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 n SER 2 N 0.00 0.93 -4.11 1.61 3.41 -1.26 -4.94 113.62 109.27 2dm8 n SER 2 Ca 0.00 1.14 -0.33 0.00 -0.26 0.00 0.00 58.87 59.42 2dm8 n SER 2 Cb 0.00 -1.06 -0.15 0.00 -0.26 0.00 0.00 64.21 62.74 2dm8 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dm8 s SER 3 N 0.52 3.83 0.01 4.04 0.15 -1.26 -5.02 113.70 115.97 2dm8 s SER 3 Ca 0.89 -1.01 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 2dm8 s SER 3 Cb -1.12 -1.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.49 2dm8 s SER 3 CO 0.54 -0.10 1.28 1.23 1.20 0.00 0.00 173.24 177.39 2dm8 h GLY 4 N 7.87 -0.25 -1.35 9.45 0.00 -2.01 -3.07 103.07 113.71 2dm8 h GLY 4 Ca -0.33 0.09 0.48 0.00 0.00 0.00 0.00 47.33 47.57 2dm8 h GLY 4 CO 0.55 -0.09 0.88 1.48 0.00 0.00 0.00 176.54 179.36 2dm8 h SER 5 N -0.60 0.20 -2.76 0.19 4.64 -2.01 -3.36 113.55 109.84 2dm8 h SER 5 Ca -0.02 0.16 -0.57 0.00 -0.47 0.00 0.00 61.79 60.89 2dm8 h SER 5 Cb 0.45 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 2dm8 h SER 5 CO 0.04 -0.26 1.15 -0.44 -0.87 0.00 0.00 176.83 176.45 2dm8 s SER 6 N -4.29 6.29 0.00 4.97 0.01 -1.16 -4.32 113.70 115.20 2dm8 s SER 6 Ca -0.07 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.73 2dm8 s SER 6 Cb 0.31 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2dm8 s SER 6 CO 0.83 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.74 2dm8 n GLY 7 N 4.81 0.76 0.20 3.44 0.00 -1.26 -4.90 105.19 108.25 2dm8 n GLY 7 Ca 0.19 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 0.34 0.00 1.61 0.13 -1.80 -2.97 132.00 129.31 2dm8 h PRO 8 Ca 0.00 -0.18 -0.30 0.00 -0.87 0.00 0.00 66.00 64.65 2dm8 h PRO 8 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2dm8 h PRO 8 CO 0.00 0.73 -1.92 0.00 -0.23 0.00 0.00 178.00 176.58 2dm8 n ALA 9 N -2.48 1.03 -0.32 -0.56 0.00 -1.26 -4.31 120.51 112.61 2dm8 n ALA 9 Ca -0.02 -0.93 0.20 0.00 0.00 0.00 0.00 53.44 52.70 2dm8 n ALA 9 Cb 0.52 0.02 0.41 0.00 0.00 0.00 0.00 19.45 20.40 2dm8 n ALA 9 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dm8 h THR 10 N -1.00 0.30 -3.10 0.00 1.35 -1.96 -3.39 112.91 105.11 2dm8 h THR 10 Ca -0.46 -0.10 -0.59 0.00 -0.55 0.00 0.00 66.41 64.71 2dm8 h THR 10 Cb 1.37 -0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.74 2dm8 h THR 10 CO -0.28 0.05 -0.26 0.00 -0.25 0.00 0.00 175.52 174.79 2dm8 n PRO 12 N 0.88 -1.75 -3.02 0.00 -0.04 -1.26 -4.80 135.00 124.99 2dm8 n PRO 12 Ca -0.08 -0.60 -0.44 0.00 -0.04 0.00 0.00 63.50 62.35 2dm8 n PRO 12 Cb 0.52 -0.56 -0.05 0.00 -0.04 0.00 0.00 33.50 33.37 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 -1.68 4.66 -0.11 0.52 1.01 -1.26 -5.01 121.20 119.33 2dm8 s ILE 13 Ca 0.24 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2dm8 s ILE 13 Cb -0.02 -4.45 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 2dm8 s ILE 13 CO 0.19 -1.04 1.15 0.54 0.00 0.00 0.00 174.94 175.78 2dm8 s VAL 14 N 3.19 4.44 0.63 2.92 0.11 -1.26 -4.99 120.40 125.44 2dm8 s VAL 14 Ca 0.19 1.74 -0.16 0.00 -2.93 0.00 0.00 61.98 60.82 2dm8 s VAL 14 Cb -0.18 -4.12 -0.01 0.00 -1.53 0.00 0.00 36.38 30.54 2dm8 s VAL 14 CO 0.12 -0.05 1.12 -2.16 -3.33 0.00 0.00 175.10 170.80 2dm8 s PRO 15 N 2.58 2.93 0.00 1.54 0.04 -1.26 -3.45 135.00 137.38 2dm8 s PRO 15 Ca 0.52 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2dm8 s PRO 15 Cb -0.21 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2dm8 s PRO 15 CO 0.17 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2dm8 n GLY 16 N -0.36 1.09 3.51 0.56 0.00 -1.03 -4.80 105.19 104.15 2dm8 n GLY 16 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 3.75 0.23 1.61 -0.21 -1.22 -4.92 119.66 118.90 2dm8 s GLN 17 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 54.62 2dm8 s GLN 17 Cb 0.00 -3.20 -0.12 0.00 1.00 0.00 0.00 33.01 30.69 2dm8 s GLN 17 CO 0.00 0.04 1.68 -1.21 -2.12 0.00 0.00 175.29 173.69 2dm8 s GLU 18 N 0.97 4.12 0.34 2.91 8.01 -1.26 -4.59 118.70 129.19 2dm8 s GLU 18 Ca 0.03 2.59 0.04 0.00 0.01 0.00 0.00 54.97 57.64 2dm8 s GLU 18 Cb -0.14 -3.06 -0.06 0.00 -4.31 0.00 0.00 34.13 26.56 2dm8 s GLU 18 CO 0.02 -0.72 0.06 0.00 0.01 0.00 0.00 175.26 174.64 2dm8 s MET 19 N 0.69 1.69 0.24 1.61 0.23 -1.02 -5.03 119.30 117.70 2dm8 s MET 19 Ca 0.71 -1.95 0.12 0.00 -1.03 0.00 0.00 55.69 53.54 2dm8 s MET 19 Cb -0.49 -0.92 -0.05 0.00 -1.53 0.00 0.00 34.83 31.85 2dm8 s MET 19 CO 0.37 -0.19 -0.21 0.42 -2.03 0.00 0.00 175.02 173.37 2dm8 s ILE 20 N -3.25 2.46 -0.02 3.16 1.09 -1.26 -1.68 121.20 121.70 2dm8 s ILE 20 Ca 0.35 -2.22 -0.01 0.00 -1.10 0.00 0.00 60.65 57.68 2dm8 s ILE 20 Cb 0.08 -2.24 0.02 0.00 -1.06 0.00 0.00 42.46 39.26 2dm8 s ILE 20 CO 0.16 -0.27 0.04 0.27 -0.10 0.00 0.00 174.94 175.04 2dm8 s ILE 21 N -2.13 -0.04 -0.20 2.92 -4.36 0.91 -4.43 121.20 113.87 2dm8 s ILE 21 Ca 0.26 0.13 0.01 0.00 -0.26 0.00 0.00 60.65 60.80 2dm8 s ILE 21 Cb -0.06 -0.09 0.03 0.00 1.25 0.00 0.00 42.46 43.59 2dm8 s ILE 21 CO 0.13 0.05 -0.17 -0.70 0.24 0.00 0.00 174.94 174.49 2dm8 s GLU 22 N 0.70 2.79 -0.12 0.37 2.12 -1.26 -0.73 118.70 122.57 2dm8 s GLU 22 Ca -0.06 -0.97 0.02 0.00 0.36 0.00 0.00 54.97 54.33 2dm8 s GLU 22 Cb -0.08 -2.66 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 2dm8 s GLU 22 CO -0.02 -0.31 -0.19 0.42 -0.54 0.00 0.00 175.26 174.62 2dm8 s ILE 23 N 1.24 2.46 -0.17 -3.70 1.01 -0.40 -4.81 121.20 116.82 2dm8 s ILE 23 Ca 0.01 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 2dm8 s ILE 23 Cb -0.15 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2dm8 s ILE 23 CO -0.11 0.54 0.55 -0.55 0.00 0.00 0.00 174.94 175.38 2dm8 s SER 24 N 0.46 6.65 -0.00 3.58 0.15 -1.26 -1.11 113.70 122.16 2dm8 s SER 24 Ca -0.13 0.78 -0.30 0.00 0.70 0.00 0.00 55.95 57.00 2dm8 s SER 24 Cb -0.17 -2.31 -0.07 0.00 -1.71 0.00 0.00 66.02 61.76 2dm8 s SER 24 CO 0.06 -0.17 1.71 -0.54 1.20 0.00 0.00 173.24 175.50 2dm8 s LYS 25 N 1.46 4.18 -0.78 5.44 1.02 -0.06 -4.95 119.74 126.04 2dm8 s LYS 25 Ca 0.27 2.30 -0.09 0.00 0.02 0.00 0.00 55.97 58.47 2dm8 s LYS 25 Cb -0.16 -3.91 0.20 0.00 -0.52 0.00 0.00 37.83 33.45 2dm8 s LYS 25 CO 0.11 -0.83 0.68 0.20 -0.92 0.00 0.00 175.35 174.58 2dm8 s GLY 26 N 3.28 2.68 -1.18 -3.33 0.00 -1.26 -4.75 107.32 102.76 2dm8 s GLY 26 Ca 0.76 -3.38 -0.09 0.00 0.00 0.00 0.00 44.72 42.00 2dm8 s GLY 26 CO 0.32 1.20 0.23 -0.96 0.00 0.00 0.00 173.10 173.90 2dm8 n ARG 27 N 3.58 -0.87 -3.16 2.90 1.85 -1.26 -4.82 116.66 114.88 2dm8 n ARG 27 Ca 0.13 0.08 0.05 0.00 -1.00 0.00 0.00 57.85 57.11 2dm8 n ARG 27 Cb 0.42 -2.85 -0.02 0.00 -1.05 0.00 0.00 32.46 28.97 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dm8 s SER 28 N -3.12 -0.68 0.12 2.89 0.15 -1.26 -5.13 113.70 106.67 2dm8 s SER 28 Ca 0.33 0.44 -0.34 0.00 0.70 0.00 0.00 55.95 57.08 2dm8 s SER 28 Cb -0.19 1.58 -0.17 0.00 -1.71 0.00 0.00 66.02 65.53 2dm8 s SER 28 CO 0.68 -0.13 1.03 0.61 1.20 0.00 0.00 173.24 176.64 2dm8 n GLY 29 N 5.45 -0.35 2.43 9.45 0.00 -1.26 -4.09 105.19 116.83 2dm8 n GLY 29 Ca -0.06 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dm8 n LEU 30 N 1.90 -2.35 -3.68 0.99 4.77 -1.26 -4.21 117.00 113.15 2dm8 n LEU 30 Ca 0.17 0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 56.44 2dm8 n LEU 30 Cb 0.19 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 2dm8 n LEU 30 CO 0.60 -3.28 -0.00 0.61 -1.33 0.00 0.00 177.39 173.99 2dm8 n GLY 31 N 1.78 4.27 3.13 -0.72 0.00 -1.26 -4.72 105.19 107.67 2dm8 n GLY 31 Ca 0.07 -2.61 -0.09 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.83 1.85 -0.04 0.99 0.05 -1.26 -0.78 118.68 117.67 2dm8 s LEU 32 Ca 0.31 -0.66 0.04 0.00 0.05 0.00 0.00 54.13 53.87 2dm8 s LEU 32 Cb 0.04 0.62 -0.00 0.00 -2.05 0.00 0.00 46.19 44.80 2dm8 s LEU 32 CO -0.11 -0.58 -0.16 -0.55 -0.55 0.00 0.00 176.35 174.41 2dm8 s SER 33 N -2.47 1.97 0.36 1.48 0.15 0.14 -4.82 113.70 110.52 2dm8 s SER 33 Ca -0.00 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.41 2dm8 s SER 33 Cb 0.02 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.73 2dm8 s SER 33 CO -0.07 0.13 0.11 0.27 1.20 0.00 0.00 173.24 174.88 2dm8 s ILE 34 N 0.08 2.66 -0.22 6.45 -4.36 -1.26 -0.27 121.20 124.28 2dm8 s ILE 34 Ca -0.04 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.40 2dm8 s ILE 34 Cb -0.11 -2.93 0.06 0.00 1.25 0.00 0.00 42.46 40.74 2dm8 s ILE 34 CO 0.02 -0.13 0.56 0.68 0.24 0.00 0.00 174.94 176.31 2dm8 s VAL 35 N -2.51 -0.01 0.00 8.37 -7.23 -0.17 -4.62 120.40 114.23 2dm8 s VAL 35 Ca 0.38 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 2dm8 s VAL 35 Cb 0.00 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.14 2dm8 s VAL 35 CO 0.22 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 2dm8 n GLY 36 N 3.43 -0.24 0.00 2.32 0.00 -1.26 -2.41 105.19 107.03 2dm8 n GLY 36 Ca -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 0.06 3.94 -0.02 0.00 -0.94 -3.04 105.19 105.18 2dm8 n GLY 37 Ca 0.00 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 2dm8 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 s LYS 38 N -0.00 2.59 -0.13 1.61 1.02 -0.97 -4.09 119.74 119.77 2dm8 s LYS 38 Ca 0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 55.97 55.69 2dm8 s LYS 38 Cb 0.00 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2dm8 s LYS 38 CO 0.00 -0.86 0.01 -3.47 -0.92 0.00 0.00 175.35 170.11 2dm8 n ASP 39 N -2.61 -1.28 -4.32 2.83 2.03 -1.26 -4.63 116.55 107.31 2dm8 n ASP 39 Ca 0.06 0.44 -0.20 0.00 0.52 0.00 0.00 54.79 55.61 2dm8 n ASP 39 Cb 0.59 -1.22 -0.11 0.00 -0.72 0.00 0.00 41.12 39.66 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2dm8 s THR 40 N -2.08 1.70 -2.00 5.18 -4.23 -1.26 -5.02 115.64 107.94 2dm8 s THR 40 Ca 0.02 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 58.68 2dm8 s THR 40 Cb -0.01 -1.86 0.39 0.00 1.34 0.00 0.00 72.50 72.36 2dm8 s THR 40 CO 0.02 -0.43 1.24 -0.81 -0.54 0.00 0.00 174.62 174.10 2dm8 n PRO 41 N 0.09 0.49 -3.71 3.99 -0.04 -1.26 -4.40 135.00 130.17 2dm8 n PRO 41 Ca -0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 2dm8 n PRO 41 Cb 0.58 -1.44 -0.16 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.88 1.11 -0.09 1.53 2.34 -1.26 -4.99 118.68 115.44 2dm8 s LEU 42 Ca 0.21 -0.89 0.01 0.00 0.06 0.00 0.00 54.13 53.52 2dm8 s LEU 42 Cb 0.09 -0.55 0.16 0.00 -0.56 0.00 0.00 46.19 45.33 2dm8 s LEU 42 CO 0.16 -0.33 1.13 -0.46 -1.06 0.00 0.00 176.35 175.79 2dm8 n ASN 43 N 5.08 2.97 -3.70 1.48 0.23 -1.26 -2.22 115.26 117.83 2dm8 n ASN 43 Ca -0.08 -2.33 -0.18 0.00 -0.53 0.00 0.00 54.58 51.46 2dm8 n ASN 43 Cb 0.47 -0.57 -0.17 0.00 -2.08 0.00 0.00 39.78 37.43 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dm8 s ALA 44 N -0.86 0.09 0.00 -2.53 0.00 -1.26 -4.72 121.76 112.48 2dm8 s ALA 44 Ca 0.13 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2dm8 s ALA 44 Cb 0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 2dm8 s ALA 44 CO 0.03 -0.37 1.61 0.42 0.00 0.00 0.00 175.76 177.45 2dm8 s ILE 45 N 1.81 3.39 0.07 0.00 -1.09 -1.26 -4.60 121.20 119.52 2dm8 s ILE 45 Ca -0.00 0.68 0.09 0.00 -2.23 0.00 0.00 60.65 59.19 2dm8 s ILE 45 Cb -0.12 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 2dm8 s ILE 45 CO -0.04 -0.03 -0.25 -0.69 -1.23 0.00 0.00 174.94 172.71 2dm8 s VAL 46 N 3.19 2.03 -0.92 2.92 1.01 -1.01 -1.54 120.40 126.07 2dm8 s VAL 46 Ca 0.72 -1.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 2dm8 s VAL 46 Cb -0.36 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.33 2dm8 s VAL 46 CO 0.30 0.24 1.31 -0.63 0.00 0.00 0.00 175.10 176.32 2dm8 s ILE 47 N -0.89 4.10 0.15 2.22 1.01 -1.17 -1.00 121.20 125.62 2dm8 s ILE 47 Ca 0.11 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 2dm8 s ILE 47 Cb -0.10 -4.94 0.03 0.00 0.01 0.00 0.00 42.46 37.46 2dm8 s ILE 47 CO 0.03 -1.79 1.64 -0.74 0.00 0.00 0.00 174.94 174.07 2dm8 h HIS 48 N 9.61 -0.58 -3.79 3.97 -0.00 -0.87 -3.21 115.15 120.28 2dm8 h HIS 48 Ca 0.07 0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.39 2dm8 h HIS 48 Cb 1.02 0.29 -0.11 0.00 -0.00 0.00 0.00 27.41 28.62 2dm8 h HIS 48 CO 1.20 -0.30 -0.21 -1.83 -0.00 0.00 0.00 177.93 176.79 2dm8 s GLU 49 N -6.10 1.41 -0.46 5.26 -1.05 -1.19 -4.77 118.70 111.81 2dm8 s GLU 49 Ca -0.15 -1.25 0.03 0.00 -0.15 0.00 0.00 54.97 53.44 2dm8 s GLU 49 Cb 0.12 0.43 0.14 0.00 -0.44 0.00 0.00 34.13 34.38 2dm8 s GLU 49 CO 0.68 -0.56 0.27 0.08 0.95 0.00 0.00 175.26 176.67 2dm8 s VAL 50 N -4.02 1.52 0.01 1.83 1.01 -1.26 0.27 120.40 119.76 2dm8 s VAL 50 Ca 0.22 -2.74 -0.28 0.00 0.00 0.00 0.00 61.98 59.18 2dm8 s VAL 50 Cb 0.01 -2.06 -0.14 0.00 0.00 0.00 0.00 36.38 34.19 2dm8 s VAL 50 CO 0.07 -0.92 0.75 -1.22 0.00 0.00 0.00 175.10 173.78 2dm8 n TYR 51 N 3.35 0.42 1.70 5.22 4.01 0.04 -4.74 117.16 127.17 2dm8 n TYR 51 Ca 0.11 0.76 0.15 0.00 -0.16 0.00 0.00 57.90 58.76 2dm8 n TYR 51 Cb 0.35 -1.50 0.77 0.00 -0.31 0.00 0.00 39.34 38.65 2dm8 n TYR 51 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2dm8 n GLU 52 N 1.06 0.99 -2.29 -0.72 1.02 -1.26 -3.80 120.64 115.65 2dm8 n GLU 52 Ca 0.14 -0.24 -0.29 0.00 -0.02 0.00 0.00 57.16 56.75 2dm8 n GLU 52 Cb 0.06 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 2dm8 n GLU 52 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2dm8 n GLU 53 N -0.80 3.30 -1.94 3.49 0.28 -1.26 -4.88 120.64 118.83 2dm8 n GLU 53 Ca 0.20 -4.25 -0.03 0.00 -0.16 0.00 0.00 57.16 52.92 2dm8 n GLU 53 Cb 0.21 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 30.82 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dm8 n GLY 54 N -0.53 2.23 0.09 -1.84 0.00 -1.25 -4.82 105.19 99.07 2dm8 n GLY 54 Ca 0.43 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 2dm8 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm8 h ALA 55 N 1.82 0.05 -0.98 4.61 0.00 -1.73 -3.09 119.26 119.93 2dm8 h ALA 55 Ca -0.08 -0.41 0.32 0.00 0.00 0.00 0.00 54.91 54.74 2dm8 h ALA 55 Cb 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.96 2dm8 h ALA 55 CO 0.11 0.03 0.49 0.00 0.00 0.00 0.00 179.25 179.87 2dm8 h ALA 56 N 0.33 1.85 0.31 0.00 0.00 -1.88 -0.35 119.26 119.53 2dm8 h ALA 56 Ca -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dm8 h ALA 56 Cb 0.88 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dm8 h ALA 56 CO 0.04 -0.62 -0.15 0.00 0.00 0.00 0.00 179.25 178.51 2dm8 h ALA 57 N 1.87 -0.42 -1.77 0.00 0.00 -1.68 -1.76 119.26 115.51 2dm8 h ALA 57 Ca 0.72 -0.19 0.51 0.00 0.00 0.00 0.00 54.91 55.95 2dm8 h ALA 57 Cb 1.67 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2dm8 h ALA 57 CO -0.66 -0.51 1.32 0.00 0.00 0.00 0.00 179.25 179.40 2dm8 h ARG 58 N -0.87 0.00 0.00 0.00 2.47 -0.99 0.15 114.38 115.14 2dm8 h ARG 58 Ca -0.04 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 2dm8 h ARG 58 Cb 0.52 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2dm8 h ARG 58 CO 0.07 0.00 -0.66 0.22 0.56 0.00 0.00 179.97 180.16 2dm8 h ASP 59 N 0.00 0.00 0.00 7.04 3.58 -1.34 -3.48 116.42 122.22 2dm8 h ASP 59 Ca 0.84 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2dm8 h ASP 59 Cb 3.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 44.52 2dm8 h ASP 59 CO -0.01 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.05 2dm8 n GLY 60 N 1.56 2.49 0.29 -0.78 0.00 0.51 -4.86 105.19 104.41 2dm8 n GLY 60 Ca -0.17 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.07 -2.55 1.61 5.12 -1.26 -4.05 116.66 115.46 2dm8 n ARG 61 Ca 0.00 1.25 -0.42 0.00 -1.93 0.00 0.00 57.85 56.75 2dm8 n ARG 61 Cb 0.00 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.37 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 -10.54 4.25 0.46 0.55 1.43 -1.26 -4.97 118.68 108.59 2dm8 s LEU 62 Ca -0.12 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 2dm8 s LEU 62 Cb 0.23 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.91 2dm8 s LEU 62 CO 0.63 -0.55 0.55 0.26 0.23 0.00 0.00 176.35 177.48 2dm8 s TRP 63 N 2.25 2.45 -0.50 0.29 0.52 -1.26 -4.95 118.94 117.74 2dm8 s TRP 63 Ca 0.52 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 56.17 2dm8 s TRP 63 Cb -0.22 -2.27 0.27 0.00 -1.15 0.00 0.00 33.47 30.10 2dm8 s TRP 63 CO 0.19 -0.49 1.09 0.00 0.02 0.00 0.00 176.95 177.77 2dm8 n ALA 64 N -1.84 3.23 -1.70 0.98 0.00 -1.26 -3.54 120.51 116.37 2dm8 n ALA 64 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2dm8 n ALA 64 Cb 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.10 -0.33 3.94 0.00 0.00 -1.21 -4.51 105.19 103.19 2dm8 n GLY 65 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 3.38 -0.17 1.61 1.01 -1.23 -4.88 116.67 116.17 2dm8 s ASP 66 Ca 0.00 0.17 -0.03 0.00 0.71 0.00 0.00 52.55 53.40 2dm8 s ASP 66 Cb 0.00 -0.29 0.05 0.00 1.01 0.00 0.00 42.92 43.70 2dm8 s ASP 66 CO 0.00 -2.55 0.04 -1.10 0.21 0.00 0.00 175.17 171.77 2dm8 s GLN 67 N -5.75 0.48 0.45 8.23 -0.21 -1.25 -3.03 119.66 118.59 2dm8 s GLN 67 Ca 0.72 -0.24 -0.15 0.00 0.02 0.00 0.00 55.36 55.72 2dm8 s GLN 67 Cb -0.04 -1.83 -0.08 0.00 1.00 0.00 0.00 33.01 32.06 2dm8 s GLN 67 CO 0.51 -0.59 0.88 0.42 -2.12 0.00 0.00 175.29 174.40 2dm8 s ILE 68 N 1.95 4.62 0.00 1.08 1.09 -0.59 -1.80 121.20 127.55 2dm8 s ILE 68 Ca 0.01 1.00 0.00 0.00 -1.10 0.00 0.00 60.65 60.56 2dm8 s ILE 68 Cb -0.16 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 2dm8 s ILE 68 CO -0.08 -0.55 0.00 0.18 -0.10 0.00 0.00 174.94 174.40 2dm8 n LEU 69 N -1.28 1.32 -3.77 2.97 4.77 -0.75 -4.19 117.00 116.08 2dm8 n LEU 69 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2dm8 n LEU 69 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2dm8 n LEU 69 CO 0.45 0.22 0.00 -0.70 -1.33 0.00 0.00 177.39 176.04 2dm8 s GLU 70 N -1.71 0.59 -0.02 3.23 2.12 -1.26 -0.83 118.70 120.82 2dm8 s GLU 70 Ca 0.00 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.29 2dm8 s GLU 70 Cb 0.00 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.66 2dm8 s GLU 70 CO 0.00 -0.15 -0.04 0.54 -0.54 0.00 0.00 175.26 175.07 2dm8 s VAL 71 N -0.97 0.41 -1.68 3.70 0.11 -0.82 -1.77 120.40 119.38 2dm8 s VAL 71 Ca -0.10 -0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 58.59 2dm8 s VAL 71 Cb -0.05 -0.40 0.21 0.00 -1.53 0.00 0.00 36.38 34.62 2dm8 s VAL 71 CO 0.03 0.15 0.54 -3.20 -3.33 0.00 0.00 175.10 169.29 2dm8 n ASN 72 N 3.45 -1.76 -2.03 3.54 2.85 0.85 0.10 115.26 122.26 2dm8 n ASN 72 Ca -0.19 -1.06 -0.11 0.00 -0.11 0.00 0.00 54.58 53.12 2dm8 n ASN 72 Cb 0.55 -1.55 0.04 0.00 1.24 0.00 0.00 39.78 40.06 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 -1.00 0.19 2.62 8.20 0.00 -1.26 -5.03 105.19 108.90 2dm8 n GLY 73 Ca 0.11 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.16 -0.13 0.15 1.61 1.01 0.29 -5.12 120.40 115.05 2dm8 s VAL 74 Ca 0.21 -0.32 -0.33 0.00 0.00 0.00 0.00 61.98 61.54 2dm8 s VAL 74 Cb -0.09 -0.70 -0.16 0.00 0.00 0.00 0.00 36.38 35.42 2dm8 s VAL 74 CO 0.35 -0.39 1.13 -0.67 0.00 0.00 0.00 175.10 175.52 2dm8 n ASP 75 N 5.28 1.10 0.00 3.32 2.03 -1.26 -1.94 116.55 125.08 2dm8 n ASP 75 Ca -0.06 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2dm8 n ASP 75 Cb 0.47 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 2.00 0.00 -0.34 -2.67 4.77 -0.01 -4.66 117.00 116.10 2dm8 n LEU 76 Ca 0.16 -0.08 0.17 0.00 -0.03 0.00 0.00 56.01 56.22 2dm8 n LEU 76 Cb 0.23 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.64 2dm8 n LEU 76 CO 0.61 0.00 0.83 0.03 -1.33 0.00 0.00 177.39 177.53 2dm8 h ARG 77 N 0.00 0.01 -1.62 3.23 3.08 -1.79 0.08 114.38 117.36 2dm8 h ARG 77 Ca 0.00 -0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2dm8 h ARG 77 Cb 0.00 -0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.63 2dm8 h ARG 77 CO 0.00 0.00 -0.75 -1.71 -1.07 0.00 0.00 179.97 176.45 2dm8 n ASN 78 N -5.47 4.44 -4.67 7.04 5.15 -1.26 -4.48 115.26 116.01 2dm8 n ASN 78 Ca 0.25 -3.65 -0.31 0.00 -0.60 0.00 0.00 54.58 50.27 2dm8 n ASN 78 Cb 0.82 -0.48 -0.08 0.00 -0.53 0.00 0.00 39.78 39.50 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2dm8 s SER 79 N -3.49 4.96 0.23 1.20 1.04 0.01 -4.89 113.70 112.76 2dm8 s SER 79 Ca 0.47 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 2dm8 s SER 79 Cb 0.38 -1.18 -0.09 0.00 0.10 0.00 0.00 66.02 65.23 2dm8 s SER 79 CO -0.17 0.20 1.35 -0.44 0.98 0.00 0.00 173.24 175.16 2dm8 s SER 80 N -2.12 6.81 0.28 7.02 0.01 -1.26 -2.29 113.70 122.15 2dm8 s SER 80 Ca 0.24 2.52 0.16 0.00 1.31 0.00 0.00 55.95 60.18 2dm8 s SER 80 Cb -0.12 -2.62 0.99 0.00 0.21 0.00 0.00 66.02 64.49 2dm8 s SER 80 CO 0.16 -0.58 1.14 1.57 0.41 0.00 0.00 173.24 175.94 2dm8 n HIS 81 N 2.34 0.80 -0.03 2.43 -0.00 -1.17 0.15 115.22 119.73 2dm8 n HIS 81 Ca 0.06 0.80 -0.16 0.00 0.46 0.00 0.00 57.72 58.88 2dm8 n HIS 81 Cb 0.42 -1.23 -0.13 0.00 -0.12 0.00 0.00 29.99 28.93 2dm8 n HIS 81 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2dm8 h GLU 82 N 0.00 0.12 -0.76 1.57 5.08 -1.89 -3.27 114.58 115.42 2dm8 h GLU 82 Ca 0.62 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 58.98 2dm8 h GLU 82 Cb 1.69 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.85 2dm8 h GLU 82 CO -0.52 1.00 -0.13 0.93 -1.00 0.00 0.00 179.01 179.29 2dm8 h GLU 83 N -0.69 0.02 -0.76 2.33 4.39 0.10 0.54 114.58 120.51 2dm8 h GLU 83 Ca -0.04 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2dm8 h GLU 83 Cb 1.11 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.71 2dm8 h GLU 83 CO 0.05 0.02 0.50 0.00 -1.16 0.00 0.00 179.01 178.41 2dm8 h ALA 84 N 1.75 1.64 -0.20 3.43 0.00 -1.40 -1.49 119.26 122.99 2dm8 h ALA 84 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2dm8 h ALA 84 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2dm8 h ALA 84 CO -0.76 0.25 0.07 0.82 0.00 0.00 0.00 179.25 179.63 2dm8 h ILE 85 N 0.83 1.18 -0.72 0.00 1.08 -0.00 -2.91 117.51 116.96 2dm8 h ILE 85 Ca 0.32 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2dm8 h ILE 85 Cb 0.21 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 2dm8 h ILE 85 CO -0.11 0.17 0.32 0.74 -0.69 0.00 0.00 178.15 178.59 2dm8 h THR 86 N 0.16 1.24 0.00 -0.27 2.02 -0.75 -1.57 112.91 113.74 2dm8 h THR 86 Ca 0.07 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 2dm8 h THR 86 Cb 0.20 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2dm8 h THR 86 CO -0.00 0.29 -0.00 0.00 0.37 0.00 0.00 175.52 176.17 2dm8 h ALA 87 N 1.32 1.09 0.00 6.16 0.00 -1.10 0.26 119.26 126.99 2dm8 h ALA 87 Ca 0.25 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2dm8 h ALA 87 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2dm8 h ALA 87 CO -0.03 0.00 -1.18 -0.07 0.00 0.00 0.00 179.25 177.97 2dm8 h LEU 88 N 0.00 0.00 0.00 0.00 3.38 -1.13 -3.31 115.31 114.25 2dm8 h LEU 88 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2dm8 h LEU 88 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2dm8 h LEU 88 CO 0.00 0.40 -1.49 0.54 0.09 0.00 0.00 178.44 177.98 2dm8 n ARG 89 N -2.87 0.63 -0.30 1.13 1.74 -0.16 -3.90 116.66 112.92 2dm8 n ARG 89 Ca -0.06 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.23 2dm8 n ARG 89 Cb 0.74 -1.76 0.19 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.79 2.35 -3.09 5.56 6.02 0.75 -4.90 117.38 121.27 2dm8 n GLN 90 Ca -0.10 -1.53 -0.39 0.00 -0.01 0.00 0.00 57.00 54.97 2dm8 n GLN 90 Cb 0.80 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.64 4.55 0.00 5.09 -4.23 -1.25 -5.03 115.64 113.14 2dm8 s THR 91 Ca 0.28 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 62.29 2dm8 s THR 91 Cb 0.17 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2dm8 s THR 91 CO 0.15 0.52 0.00 -0.81 -0.54 0.00 0.00 174.62 173.93 2dm8 n PRO 92 N 1.80 -0.46 -0.34 3.99 -0.04 -1.26 -4.89 135.00 133.80 2dm8 n PRO 92 Ca -0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 2dm8 n PRO 92 Cb 0.50 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.21 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 0.83 -4.69 0.54 4.15 -1.96 -3.37 115.11 110.62 2dm8 h GLN 93 Ca 0.00 -0.05 -0.68 0.00 0.77 0.00 0.00 58.65 58.69 2dm8 h GLN 93 Cb 0.00 -0.19 -0.20 0.00 0.21 0.00 0.00 27.48 27.30 2dm8 h GLN 93 CO 0.00 0.55 -0.48 0.15 -1.93 0.00 0.00 178.83 177.12 2dm8 s LYS 94 N -5.94 3.37 -0.43 1.69 1.02 -1.26 -0.88 119.74 117.31 2dm8 s LYS 94 Ca -0.12 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 2dm8 s LYS 94 Cb 0.23 -3.79 0.07 0.00 -0.52 0.00 0.00 37.83 33.82 2dm8 s LYS 94 CO 0.80 -0.49 0.30 0.08 -0.92 0.00 0.00 175.35 175.11 2dm8 s VAL 95 N 1.69 4.59 -0.10 3.17 1.01 -0.26 -4.96 120.40 125.54 2dm8 s VAL 95 Ca 0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 2dm8 s VAL 95 Cb -0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2dm8 s VAL 95 CO 0.10 -0.51 0.05 -0.60 0.00 0.00 0.00 175.10 174.13 2dm8 s ARG 96 N 1.51 3.14 0.18 2.72 3.00 -1.26 -1.28 118.95 126.96 2dm8 s ARG 96 Ca 0.03 -0.32 -0.09 0.00 -1.00 0.00 0.00 55.73 54.35 2dm8 s ARG 96 Cb -0.23 -2.92 -0.01 0.00 0.00 0.00 0.00 34.95 31.79 2dm8 s ARG 96 CO 0.04 0.72 0.30 -0.51 0.00 0.00 0.00 175.30 175.86 2dm8 s LEU 97 N -0.91 0.86 -0.20 -0.88 1.02 0.09 -0.11 118.68 118.55 2dm8 s LEU 97 Ca 0.14 -0.94 -0.00 0.00 0.02 0.00 0.00 54.13 53.34 2dm8 s LEU 97 Cb -0.12 1.21 0.02 0.00 0.02 0.00 0.00 46.19 47.32 2dm8 s LEU 97 CO 0.03 -0.94 -0.15 -0.69 0.02 0.00 0.00 176.35 174.62 2dm8 s VAL 98 N -4.00 2.40 0.18 -1.59 1.01 -0.73 -0.06 120.40 117.62 2dm8 s VAL 98 Ca 0.21 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2dm8 s VAL 98 Cb 0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2dm8 s VAL 98 CO 0.03 0.46 0.10 0.68 0.00 0.00 0.00 175.10 176.37 2dm8 s VAL 99 N 1.32 4.23 -0.15 2.92 -7.23 -0.67 -1.80 120.40 119.01 2dm8 s VAL 99 Ca 0.04 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 58.93 2dm8 s VAL 99 Cb -0.14 -3.17 0.06 0.00 0.56 0.00 0.00 36.38 33.69 2dm8 s VAL 99 CO -0.10 -0.14 0.08 -0.47 -0.31 0.00 0.00 175.10 174.16 2dm8 s TYR 100 N -1.80 0.28 -0.83 2.82 5.04 -0.75 -2.44 117.35 119.67 2dm8 s TYR 100 Ca 0.30 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.64 2dm8 s TYR 100 Cb -0.09 -0.71 0.20 0.00 0.35 0.00 0.00 41.96 41.71 2dm8 s TYR 100 CO 0.22 -0.48 0.68 0.50 -1.34 0.00 0.00 175.55 175.13 2dm8 s ARG 101 N 2.11 2.98 0.49 4.97 3.52 -1.26 -3.93 118.95 127.82 2dm8 s ARG 101 Ca 0.02 -3.31 -0.22 0.00 -0.13 0.00 0.00 55.73 52.09 2dm8 s ARG 101 Cb -0.16 -3.76 -0.08 0.00 -1.56 0.00 0.00 34.95 29.39 2dm8 s ARG 101 CO -0.08 -1.27 1.07 -0.40 -0.81 0.00 0.00 175.30 173.80 2dm8 n ASP 102 N 2.19 1.45 -1.56 -2.12 5.75 -1.26 -2.47 116.55 118.53 2dm8 n ASP 102 Ca 0.21 0.97 -0.00 0.00 -0.01 0.00 0.00 54.79 55.96 2dm8 n ASP 102 Cb 0.36 -1.41 0.29 0.00 -1.03 0.00 0.00 41.12 39.34 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2dm8 n GLU 103 N -0.31 3.39 -2.25 0.11 0.28 -1.26 -4.70 120.64 115.90 2dm8 n GLU 103 Ca 0.10 -3.05 -0.43 0.00 -0.16 0.00 0.00 57.16 53.63 2dm8 n GLU 103 Cb 0.42 -2.07 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm8 s ALA 104 N -2.96 2.98 -1.63 -1.84 0.00 -1.26 -3.47 121.76 113.59 2dm8 s ALA 104 Ca 0.50 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 2dm8 s ALA 104 Cb 0.41 -3.97 0.12 0.00 0.00 0.00 0.00 23.12 19.68 2dm8 s ALA 104 CO 0.11 -2.49 0.84 0.72 0.00 0.00 0.00 175.76 174.94 2dm8 n HIS 105 N 9.26 -1.94 -0.01 0.00 8.25 -1.26 -4.88 115.22 124.65 2dm8 n HIS 105 Ca 0.18 0.83 -0.10 0.00 -0.26 0.00 0.00 57.72 58.38 2dm8 n HIS 105 Cb 0.48 -3.37 -0.08 0.00 1.12 0.00 0.00 29.99 28.14 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 -1.73 -0.08 -3.62 4.41 3.20 -1.88 -3.43 116.97 113.84 2dm8 h TYR 106 Ca -0.59 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 60.59 2dm8 h TYR 106 Cb 1.38 0.03 -0.24 0.00 1.54 0.00 0.00 36.73 39.44 2dm8 h TYR 106 CO 0.60 0.47 -0.56 0.50 -1.64 0.00 0.00 178.16 177.53 2dm8 s ARG 107 N -2.72 3.07 0.28 1.82 3.52 -1.26 -5.09 118.95 118.56 2dm8 s ARG 107 Ca -0.13 -0.90 -0.00 0.00 -0.13 0.00 0.00 55.73 54.57 2dm8 s ARG 107 Cb -0.01 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2dm8 s ARG 107 CO 0.47 -0.54 0.48 0.34 -0.81 0.00 0.00 175.30 175.25 2dm8 s ASP 108 N 1.56 6.35 -0.01 -2.12 2.15 -1.26 -5.11 116.67 118.22 2dm8 s ASP 108 Ca 0.03 0.43 0.05 0.00 0.43 0.00 0.00 52.55 53.49 2dm8 s ASP 108 Cb -0.18 -2.02 -0.01 0.00 -0.30 0.00 0.00 42.92 40.40 2dm8 s ASP 108 CO 0.05 -0.18 -0.17 -0.70 -0.17 0.00 0.00 175.17 174.00 2dm8 s GLU 109 N -3.86 1.40 -0.02 4.34 2.56 -1.26 -5.14 118.70 116.73 2dm8 s GLU 109 Ca 0.39 -0.62 0.01 0.00 0.00 0.00 0.00 54.97 54.75 2dm8 s GLU 109 Cb -0.10 -1.36 0.02 0.00 2.00 0.00 0.00 34.13 34.69 2dm8 s GLU 109 CO 0.32 0.37 -0.02 -1.21 -0.56 0.00 0.00 175.26 174.17 2dm8 s GLU 110 N -0.41 0.32 -0.50 4.30 2.02 -1.26 -5.11 118.70 118.06 2dm8 s GLU 110 Ca 0.07 -0.01 -0.25 0.00 0.02 0.00 0.00 54.97 54.80 2dm8 s GLU 110 Cb -0.07 -0.41 0.03 0.00 0.10 0.00 0.00 34.13 33.78 2dm8 s GLU 110 CO -0.01 -0.05 0.92 0.45 0.02 0.00 0.00 175.26 176.59 2dm8 s SER 111 N 0.58 6.43 0.00 -0.19 0.15 -1.26 -5.00 113.70 114.41 2dm8 s SER 111 Ca -0.06 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2dm8 s SER 111 Cb -0.09 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dm8 s SER 111 CO -0.01 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2dm8 n GLY 112 N 5.01 7.07 0.17 9.45 0.00 -1.26 -5.04 105.19 120.59 2dm8 n GLY 112 Ca 0.04 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.22 2dm8 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 h PRO 113 N 0.00 0.00 -6.07 1.61 0.13 -2.03 -3.46 132.00 122.17 2dm8 h PRO 113 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2dm8 h PRO 113 Cb 0.00 0.00 0.21 0.00 0.13 0.00 0.00 31.00 31.34 2dm8 h PRO 113 CO 0.00 0.47 -1.42 -1.13 -0.23 0.00 0.00 178.00 175.68 2dm8 n SER 114 N -3.93 -4.59 -4.40 1.44 3.41 -1.26 -1.44 113.62 102.86 2dm8 n SER 114 Ca -0.01 0.41 -0.39 0.00 -0.26 0.00 0.00 58.87 58.62 2dm8 n SER 114 Cb 0.50 -0.84 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 2dm8 n SER 114 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dm8 n SER 115 N 2.66 -1.75 0.00 4.04 7.64 -1.26 -5.16 113.62 119.80 2dm8 n SER 115 Ca 0.03 -1.18 0.10 0.00 1.01 0.00 0.00 58.87 58.84 2dm8 n SER 115 Cb 0.52 -1.98 0.61 0.00 -1.01 0.00 0.00 64.21 62.35 2dm8 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64