#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 h SER 2 N 0.00 0.05 -0.17 1.61 0.02 -2.11 -3.41 113.55 109.55 2dm8 h SER 2 Ca 0.00 0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.43 2dm8 h SER 2 Cb 0.00 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 2dm8 h SER 2 CO 0.00 0.05 1.56 -0.24 -1.14 0.00 0.00 176.83 177.06 2dm8 n SER 3 N -5.09 0.71 0.00 3.07 2.88 -1.26 -4.86 113.62 109.08 2dm8 n SER 3 Ca 0.07 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2dm8 n SER 3 Cb 0.26 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2dm8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm8 n GLY 4 N 6.85 0.97 2.90 0.46 0.00 -1.26 -4.88 105.19 110.22 2dm8 n GLY 4 Ca 0.58 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 2dm8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm8 n SER 5 N 0.00 -4.99 -4.75 1.61 7.64 -1.26 -4.90 113.62 106.97 2dm8 n SER 5 Ca 0.00 -0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 2dm8 n SER 5 Cb 0.00 -4.11 -0.02 0.00 -1.01 0.00 0.00 64.21 59.07 2dm8 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm8 s SER 6 N -2.47 6.59 0.00 6.43 1.04 -1.26 -4.76 113.70 119.27 2dm8 s SER 6 Ca 0.22 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.40 2dm8 s SER 6 Cb -0.11 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2dm8 s SER 6 CO 0.27 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2dm8 n GLY 7 N 1.91 0.37 0.21 7.32 0.00 -1.26 -4.92 105.19 108.82 2dm8 n GLY 7 Ca 0.06 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 1.61 0.13 -1.85 -2.89 132.00 129.00 2dm8 h PRO 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dm8 h PRO 8 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dm8 h PRO 8 CO 0.00 0.00 -0.58 0.00 -0.23 0.00 0.00 178.00 177.19 2dm8 n ALA 9 N -1.94 1.43 -0.31 -0.56 0.00 -1.26 -4.56 120.51 113.31 2dm8 n ALA 9 Ca 0.01 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.09 2dm8 n ALA 9 Cb 0.26 0.08 0.29 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.58 0.19 -3.04 0.00 1.35 -1.96 -3.38 112.91 105.50 2dm8 h THR 10 Ca 0.00 -0.04 -0.60 0.00 -0.55 0.00 0.00 66.41 65.22 2dm8 h THR 10 Cb 0.58 0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.02 2dm8 h THR 10 CO 0.00 0.02 -0.27 0.00 -0.25 0.00 0.00 175.52 175.02 2dm8 n PRO 12 N 1.19 -0.10 -3.06 0.00 -0.04 -1.26 -4.72 135.00 127.00 2dm8 n PRO 12 Ca -0.10 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.91 2dm8 n PRO 12 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.55 4.84 -0.09 0.52 1.01 -1.26 -4.99 121.20 120.69 2dm8 s ILE 13 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 60.65 59.11 2dm8 s ILE 13 Cb 0.00 -4.58 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 2dm8 s ILE 13 CO 0.00 -1.25 1.36 0.54 0.00 0.00 0.00 174.94 175.59 2dm8 s VAL 14 N 2.53 4.02 0.63 2.92 0.11 -1.26 -5.00 120.40 124.35 2dm8 s VAL 14 Ca 0.18 1.29 -0.16 0.00 -2.93 0.00 0.00 61.98 60.37 2dm8 s VAL 14 Cb -0.17 -3.83 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 2dm8 s VAL 14 CO 0.01 -0.07 1.11 -2.16 -3.33 0.00 0.00 175.10 170.67 2dm8 s PRO 15 N 3.14 2.91 0.00 1.54 0.04 -1.26 -3.47 135.00 137.91 2dm8 s PRO 15 Ca 0.60 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2dm8 s PRO 15 Cb -0.27 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2dm8 s PRO 15 CO 0.21 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2dm8 n GLY 16 N -0.38 0.90 3.42 0.56 0.00 0.83 -4.73 105.19 105.80 2dm8 n GLY 16 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 2.96 -0.20 1.61 -0.21 -1.23 -4.87 119.66 117.72 2dm8 s GLN 17 Ca 0.00 -1.19 -0.39 0.00 0.02 0.00 0.00 55.36 53.80 2dm8 s GLN 17 Cb 0.00 -4.04 -0.15 0.00 1.00 0.00 0.00 33.01 29.82 2dm8 s GLN 17 CO 0.00 -0.89 1.72 0.39 -2.12 0.00 0.00 175.29 174.39 2dm8 n GLU 18 N 5.17 1.33 -4.57 2.91 1.02 -1.26 -4.65 120.64 120.58 2dm8 n GLU 18 Ca -0.12 0.49 -0.27 0.00 -0.02 0.00 0.00 57.16 57.24 2dm8 n GLU 18 Cb 0.45 -2.19 -0.11 0.00 -0.02 0.00 0.00 31.44 29.57 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 3.25 1.93 0.04 3.49 0.23 -1.10 -5.01 119.30 122.14 2dm8 s MET 19 Ca 0.96 -2.04 0.06 0.00 -1.03 0.00 0.00 55.69 53.64 2dm8 s MET 19 Cb -0.99 -1.68 -0.03 0.00 -1.53 0.00 0.00 34.83 30.59 2dm8 s MET 19 CO 0.61 0.01 -0.14 0.42 -2.03 0.00 0.00 175.02 173.88 2dm8 s ILE 20 N -2.67 3.07 -0.03 3.16 1.09 -1.26 -2.00 121.20 122.56 2dm8 s ILE 20 Ca 0.35 -1.11 0.04 0.00 -1.10 0.00 0.00 60.65 58.83 2dm8 s ILE 20 Cb 0.07 -2.33 -0.01 0.00 -1.06 0.00 0.00 42.46 39.14 2dm8 s ILE 20 CO 0.18 0.31 -0.17 0.27 -0.10 0.00 0.00 174.94 175.44 2dm8 s ILE 21 N -0.99 1.36 -0.12 2.92 -4.36 0.41 -4.45 121.20 115.97 2dm8 s ILE 21 Ca 0.16 -0.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.88 2dm8 s ILE 21 Cb -0.11 -1.17 0.01 0.00 1.25 0.00 0.00 42.46 42.45 2dm8 s ILE 21 CO 0.07 0.39 -0.18 -0.70 0.24 0.00 0.00 174.94 174.77 2dm8 s GLU 22 N -0.05 2.51 -0.03 0.37 2.12 -1.26 -0.63 118.70 121.73 2dm8 s GLU 22 Ca -0.01 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.69 2dm8 s GLU 22 Cb -0.10 -2.10 -0.00 0.00 0.26 0.00 0.00 34.13 32.19 2dm8 s GLU 22 CO 0.01 -0.06 -0.15 0.42 -0.54 0.00 0.00 175.26 174.94 2dm8 s ILE 23 N 0.97 1.24 -0.13 -3.70 1.01 0.28 -4.93 121.20 115.92 2dm8 s ILE 23 Ca -0.06 -0.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 2dm8 s ILE 23 Cb -0.15 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2dm8 s ILE 23 CO -0.03 0.36 0.47 -0.55 0.00 0.00 0.00 174.94 175.20 2dm8 s SER 24 N 0.00 6.65 -0.27 3.58 0.15 -1.26 -0.51 113.70 122.05 2dm8 s SER 24 Ca -0.02 0.77 -0.29 0.00 0.70 0.00 0.00 55.95 57.12 2dm8 s SER 24 Cb -0.10 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2dm8 s SER 24 CO 0.01 -0.02 1.54 -0.54 1.20 0.00 0.00 173.24 175.43 2dm8 s LYS 25 N 0.78 3.76 0.00 5.44 1.02 0.21 -4.92 119.74 126.03 2dm8 s LYS 25 Ca 0.25 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2dm8 s LYS 25 Cb -0.15 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 2dm8 s LYS 25 CO 0.10 -1.33 0.00 0.41 -0.92 0.00 0.00 175.35 173.60 2dm8 n GLY 26 N 4.69 1.42 0.12 -3.33 0.00 -1.26 -4.93 105.19 101.91 2dm8 n GLY 26 Ca 0.18 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 -0.13 -3.50 1.61 0.63 -1.26 -4.58 116.66 109.43 2dm8 n ARG 27 Ca 0.00 1.13 -0.19 0.00 -0.92 0.00 0.00 57.85 57.87 2dm8 n ARG 27 Cb 0.00 -1.68 -0.01 0.00 0.45 0.00 0.00 32.46 31.22 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 -3.75 5.91 1.19 6.15 0.01 -1.26 -5.11 113.70 116.84 2dm8 s SER 28 Ca -0.04 -0.21 -0.19 0.00 1.31 0.00 0.00 55.95 56.82 2dm8 s SER 28 Cb 0.03 -1.21 0.28 0.00 0.21 0.00 0.00 66.02 65.34 2dm8 s SER 28 CO 0.18 -0.42 1.13 -0.83 0.41 0.00 0.00 173.24 173.71 2dm8 s GLY 29 N -4.16 1.60 0.09 3.44 0.00 -1.26 -4.34 107.32 102.69 2dm8 s GLY 29 Ca 0.45 -1.00 -0.34 0.00 0.00 0.00 0.00 44.72 43.83 2dm8 s GLY 29 CO 0.31 -0.11 1.68 1.04 0.00 0.00 0.00 173.10 176.01 2dm8 n LEU 30 N -4.71 3.24 -3.97 0.66 4.77 -1.26 -3.52 117.00 112.21 2dm8 n LEU 30 Ca 0.14 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.76 2dm8 n LEU 30 Cb 0.60 -1.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.26 2dm8 n LEU 30 CO 0.44 -0.20 0.92 0.61 -1.33 0.00 0.00 177.39 177.84 2dm8 n GLY 31 N 3.74 4.97 3.26 -0.72 0.00 -1.26 -4.86 105.19 110.32 2dm8 n GLY 31 Ca 0.19 -2.67 -0.16 0.00 0.00 0.00 0.00 46.02 43.38 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 -2.52 1.47 0.07 0.99 0.05 -1.26 -0.01 118.68 117.47 2dm8 s LEU 32 Ca 0.32 -1.54 -0.04 0.00 0.05 0.00 0.00 54.13 52.92 2dm8 s LEU 32 Cb 0.04 0.37 -0.03 0.00 -2.05 0.00 0.00 46.19 44.52 2dm8 s LEU 32 CO 0.06 -0.91 0.06 -0.55 -0.55 0.00 0.00 176.35 174.46 2dm8 s SER 33 N -3.28 0.33 0.16 1.48 0.15 -0.23 -4.87 113.70 107.44 2dm8 s SER 33 Ca 0.39 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.16 2dm8 s SER 33 Cb 0.05 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2dm8 s SER 33 CO 0.18 -0.67 0.01 0.27 1.20 0.00 0.00 173.24 174.24 2dm8 s ILE 34 N -3.91 0.51 -0.04 6.45 -4.36 -1.26 -2.95 121.20 115.64 2dm8 s ILE 34 Ca 0.08 -1.95 -0.15 0.00 -0.26 0.00 0.00 60.65 58.37 2dm8 s ILE 34 Cb 0.07 -2.07 0.03 0.00 1.25 0.00 0.00 42.46 41.74 2dm8 s ILE 34 CO -0.09 -0.50 0.33 0.68 0.24 0.00 0.00 174.94 175.59 2dm8 s VAL 35 N -3.76 0.04 0.00 8.37 -7.23 -0.51 -4.75 120.40 112.55 2dm8 s VAL 35 Ca 0.23 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2dm8 s VAL 35 Cb 0.06 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.41 2dm8 s VAL 35 CO 0.03 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2dm8 n GLY 36 N 1.65 -0.72 0.00 2.32 0.00 -1.26 -2.80 105.19 104.38 2dm8 n GLY 36 Ca -0.19 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.57 0.07 -0.02 0.00 -1.26 -4.15 105.19 100.40 2dm8 n GLY 37 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 2dm8 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm8 h LYS 38 N 0.00 -0.04 -1.99 1.61 1.57 -1.87 -2.98 116.57 112.87 2dm8 h LYS 38 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2dm8 h LYS 38 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2dm8 h LYS 38 CO 0.00 0.50 -0.14 -0.25 -0.57 0.00 0.00 179.45 178.98 2dm8 n ASP 39 N -4.73 5.34 -3.75 0.86 8.00 -1.26 -4.79 116.55 116.23 2dm8 n ASP 39 Ca -0.06 -2.46 -0.13 0.00 0.71 0.00 0.00 54.79 52.85 2dm8 n ASP 39 Cb 0.26 -1.24 -0.08 0.00 -0.02 0.00 0.00 41.12 40.04 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 0.32 0.07 -2.00 -3.53 -4.23 -1.25 -5.02 115.64 100.00 2dm8 s THR 40 Ca 0.28 -0.56 0.15 0.00 -1.18 0.00 0.00 61.69 60.38 2dm8 s THR 40 Cb 0.14 -0.79 0.44 0.00 1.34 0.00 0.00 72.50 73.62 2dm8 s THR 40 CO -0.00 -0.31 1.33 -0.81 -0.54 0.00 0.00 174.62 174.29 2dm8 n PRO 41 N 0.90 0.49 0.11 3.99 -0.04 -1.26 -2.70 135.00 136.49 2dm8 n PRO 41 Ca -0.20 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.04 2dm8 n PRO 41 Cb 0.58 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 2dm8 n PRO 41 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dm8 h LEU 42 N 0.00 0.66 1.93 1.53 4.07 -1.93 -3.47 115.31 118.09 2dm8 h LEU 42 Ca 0.00 -0.77 -0.23 0.00 0.08 0.00 0.00 57.88 56.96 2dm8 h LEU 42 Cb 0.00 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.48 2dm8 h LEU 42 CO 0.00 1.62 -0.26 -3.20 -1.08 0.00 0.00 178.44 175.52 2dm8 n ASN 43 N -3.62 -3.42 -3.64 -0.43 5.15 -1.10 -4.86 115.26 103.34 2dm8 n ASN 43 Ca -0.17 0.24 -0.07 0.00 -0.60 0.00 0.00 54.58 53.98 2dm8 n ASN 43 Cb 1.08 -3.05 -0.07 0.00 -0.53 0.00 0.00 39.78 37.21 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dm8 s ALA 44 N -2.33 -2.05 -0.27 5.20 0.00 -1.26 -4.94 121.76 116.12 2dm8 s ALA 44 Ca 0.00 1.82 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 2dm8 s ALA 44 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2dm8 s ALA 44 CO 0.00 -0.20 1.22 0.42 0.00 0.00 0.00 175.76 177.20 2dm8 s ILE 45 N 0.14 4.30 -0.03 0.00 -1.09 -1.26 -4.15 121.20 119.12 2dm8 s ILE 45 Ca 0.04 1.52 0.07 0.00 -2.23 0.00 0.00 60.65 60.05 2dm8 s ILE 45 Cb -0.05 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 2dm8 s ILE 45 CO -0.09 -0.37 -0.25 -0.69 -1.23 0.00 0.00 174.94 172.31 2dm8 s VAL 46 N 3.90 1.97 -0.54 2.92 1.01 -1.12 -1.44 120.40 127.10 2dm8 s VAL 46 Ca 0.52 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2dm8 s VAL 46 Cb -0.17 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2dm8 s VAL 46 CO 0.18 0.56 1.32 -0.63 0.00 0.00 0.00 175.10 176.52 2dm8 s ILE 47 N -0.46 3.91 -0.01 2.22 1.01 -1.01 -1.43 121.20 125.43 2dm8 s ILE 47 Ca 0.06 0.82 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 2dm8 s ILE 47 Cb -0.11 -4.53 -0.19 0.00 0.01 0.00 0.00 42.46 37.64 2dm8 s ILE 47 CO 0.00 -1.17 1.29 -0.74 0.00 0.00 0.00 174.94 174.32 2dm8 h HIS 48 N 10.35 0.07 -3.32 3.97 -0.00 -1.83 -2.84 115.15 121.55 2dm8 h HIS 48 Ca -0.26 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 59.95 2dm8 h HIS 48 Cb 1.08 -0.01 -0.21 0.00 -0.00 0.00 0.00 27.41 28.27 2dm8 h HIS 48 CO 1.02 0.52 -0.41 -2.00 -0.00 0.00 0.00 177.93 177.07 2dm8 s GLU 49 N -4.29 0.54 -0.63 5.26 2.12 -1.26 -4.84 118.70 115.60 2dm8 s GLU 49 Ca -0.16 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 54.93 2dm8 s GLU 49 Cb 0.02 0.23 0.16 0.00 0.26 0.00 0.00 34.13 34.80 2dm8 s GLU 49 CO 0.69 -0.14 0.42 0.08 -0.54 0.00 0.00 175.26 175.77 2dm8 s VAL 50 N -1.30 2.60 -0.59 3.70 1.01 -1.26 -1.06 120.40 123.49 2dm8 s VAL 50 Ca -0.14 -3.88 -0.28 0.00 0.00 0.00 0.00 61.98 57.68 2dm8 s VAL 50 Cb -0.06 -2.73 -0.16 0.00 0.00 0.00 0.00 36.38 33.43 2dm8 s VAL 50 CO 0.03 -0.97 1.84 -1.22 0.00 0.00 0.00 175.10 174.78 2dm8 n TYR 51 N 2.36 0.62 0.22 5.22 4.01 0.98 -4.66 117.16 125.91 2dm8 n TYR 51 Ca 0.16 0.41 0.11 0.00 -0.16 0.00 0.00 57.90 58.42 2dm8 n TYR 51 Cb 0.35 -1.76 0.56 0.00 -0.31 0.00 0.00 39.34 38.19 2dm8 n TYR 51 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2dm8 h GLU 52 N 8.03 0.00 -2.14 -0.72 4.11 -1.97 -2.36 114.58 119.53 2dm8 h GLU 52 Ca -0.05 0.00 -0.78 0.00 0.07 0.00 0.00 59.36 58.60 2dm8 h GLU 52 Cb 1.02 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.01 2dm8 h GLU 52 CO 0.95 0.00 1.08 -0.85 0.07 0.00 0.00 179.01 180.25 2dm8 n GLU 53 N -2.38 4.09 -3.69 1.06 0.28 -1.26 -4.63 120.64 114.11 2dm8 n GLU 53 Ca -0.01 -4.02 -0.10 0.00 -0.16 0.00 0.00 57.16 52.87 2dm8 n GLU 53 Cb 0.29 -2.37 -0.03 0.00 1.43 0.00 0.00 31.44 30.75 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 -1.10 -0.19 0.15 -1.84 0.00 -0.89 -4.78 107.32 98.66 2dm8 s GLY 54 Ca 0.46 -0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.81 2dm8 s GLY 54 CO -0.26 -0.18 1.57 0.00 0.00 0.00 0.00 173.10 174.23 2dm8 h ALA 55 N 2.16 -0.46 -0.96 3.20 0.00 -1.75 0.07 119.26 121.53 2dm8 h ALA 55 Ca -0.29 0.06 0.28 0.00 0.00 0.00 0.00 54.91 54.96 2dm8 h ALA 55 Cb 1.27 0.90 -0.17 0.00 0.00 0.00 0.00 17.79 19.78 2dm8 h ALA 55 CO 0.37 -0.88 0.15 0.00 0.00 0.00 0.00 179.25 178.90 2dm8 h ALA 56 N 0.38 1.34 0.02 0.00 0.00 -1.87 0.21 119.26 119.34 2dm8 h ALA 56 Ca 0.13 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 2dm8 h ALA 56 Cb 0.59 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dm8 h ALA 56 CO -0.56 -0.61 -0.01 0.00 0.00 0.00 0.00 179.25 178.07 2dm8 h ALA 57 N 1.93 -0.02 -1.20 0.00 0.00 -1.24 -2.77 119.26 115.96 2dm8 h ALA 57 Ca 0.62 -0.15 0.44 0.00 0.00 0.00 0.00 54.91 55.83 2dm8 h ALA 57 Cb 1.35 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2dm8 h ALA 57 CO -0.83 -0.37 0.73 0.54 0.00 0.00 0.00 179.25 179.33 2dm8 n ARG 58 N -4.96 -0.04 0.01 0.00 5.12 0.72 -0.51 116.66 117.00 2dm8 n ARG 58 Ca -0.08 1.26 -0.05 0.00 -1.93 0.00 0.00 57.85 57.05 2dm8 n ARG 58 Cb 0.17 -2.40 -0.04 0.00 -1.16 0.00 0.00 32.46 29.03 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 -0.12 0.00 0.55 1.82 -1.34 -3.49 116.42 113.84 2dm8 h ASP 59 Ca 0.84 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 2dm8 h ASP 59 Cb 2.54 0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.58 2dm8 h ASP 59 CO -0.56 0.45 0.00 0.61 -1.61 0.00 0.00 179.24 178.13 2dm8 n GLY 60 N 1.30 1.00 0.12 -0.78 0.00 0.33 -5.00 105.19 102.17 2dm8 n GLY 60 Ca -0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.55 0.58 -2.47 1.61 5.12 -1.26 -4.86 116.66 113.83 2dm8 n ARG 61 Ca 0.00 0.39 -0.43 0.00 -1.93 0.00 0.00 57.85 55.88 2dm8 n ARG 61 Cb 0.16 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.83 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 3.81 -0.08 0.55 1.43 -1.26 -4.99 118.68 110.51 2dm8 s LEU 62 Ca -0.34 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2dm8 s LEU 62 Cb 0.11 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2dm8 s LEU 62 CO 0.54 -1.13 0.00 0.26 0.23 0.00 0.00 176.35 176.25 2dm8 s TRP 63 N 4.45 3.15 -0.39 0.29 0.51 -1.26 -4.95 118.94 120.74 2dm8 s TRP 63 Ca 0.54 0.18 -0.35 0.00 -2.12 0.00 0.00 56.10 54.35 2dm8 s TRP 63 Cb -0.14 -1.78 -0.12 0.00 -0.81 0.00 0.00 33.47 30.62 2dm8 s TRP 63 CO 0.25 0.47 2.22 0.00 -0.51 0.00 0.00 176.95 179.37 2dm8 n ALA 64 N 2.07 0.98 0.00 0.98 0.00 -1.26 -2.48 120.51 120.79 2dm8 n ALA 64 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2dm8 n ALA 64 Cb 0.54 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 6.59 0.89 3.94 0.00 0.00 -1.07 -5.03 105.19 110.52 2dm8 n GLY 65 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.19 6.19 -0.28 1.61 1.01 -1.04 -4.89 116.67 118.09 2dm8 s ASP 66 Ca 0.00 0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.71 2dm8 s ASP 66 Cb 0.00 -1.92 0.07 0.00 1.01 0.00 0.00 42.92 42.08 2dm8 s ASP 66 CO 0.00 -0.39 -0.06 -1.10 0.21 0.00 0.00 175.17 173.83 2dm8 s GLN 67 N -4.38 1.96 0.20 8.23 -0.21 -1.25 -2.41 119.66 121.80 2dm8 s GLN 67 Ca 0.42 -1.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.05 2dm8 s GLN 67 Cb -0.10 -2.93 -0.08 0.00 1.00 0.00 0.00 33.01 30.90 2dm8 s GLN 67 CO 0.37 -0.67 1.06 0.42 -2.12 0.00 0.00 175.29 174.34 2dm8 s ILE 68 N 1.08 3.91 -0.11 1.08 1.09 -0.52 -2.48 121.20 125.26 2dm8 s ILE 68 Ca -0.03 1.72 0.07 0.00 -1.10 0.00 0.00 60.65 61.31 2dm8 s ILE 68 Cb -0.20 -4.10 -0.12 0.00 -1.06 0.00 0.00 42.46 36.99 2dm8 s ILE 68 CO -0.06 0.33 -0.00 0.18 -0.10 0.00 0.00 174.94 175.28 2dm8 n LEU 69 N 2.10 0.72 -3.78 2.97 4.77 -0.14 -4.23 117.00 119.41 2dm8 n LEU 69 Ca 0.01 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2dm8 n LEU 69 Cb 0.46 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 2dm8 n LEU 69 CO 0.53 0.37 0.19 -0.70 -1.33 0.00 0.00 177.39 176.45 2dm8 s GLU 70 N -2.26 1.28 -0.15 3.23 2.12 -1.24 -1.77 118.70 119.92 2dm8 s GLU 70 Ca -0.08 -0.92 -0.09 0.00 0.36 0.00 0.00 54.97 54.24 2dm8 s GLU 70 Cb 0.04 0.48 0.05 0.00 0.26 0.00 0.00 34.13 34.96 2dm8 s GLU 70 CO 0.41 -0.52 0.37 0.54 -0.54 0.00 0.00 175.26 175.51 2dm8 s VAL 71 N -3.89 -0.03 -0.32 3.70 0.11 -1.16 -2.09 120.40 116.73 2dm8 s VAL 71 Ca 0.10 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.23 2dm8 s VAL 71 Cb 0.00 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2dm8 s VAL 71 CO -0.03 0.04 0.04 -3.20 -3.33 0.00 0.00 175.10 168.62 2dm8 n ASN 72 N 4.06 -1.64 -0.34 3.54 2.85 0.95 0.18 115.26 124.85 2dm8 n ASN 72 Ca -0.22 0.34 -0.01 0.00 -0.11 0.00 0.00 54.58 54.57 2dm8 n ASN 72 Cb 0.55 -1.51 0.00 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 -0.60 0.52 2.88 8.20 0.00 -1.26 -5.03 105.19 109.89 2dm8 n GLY 73 Ca -0.02 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.41 1.89 -0.45 1.61 1.01 0.47 -5.08 120.40 117.43 2dm8 s VAL 74 Ca 0.01 -2.47 -0.46 0.00 0.00 0.00 0.00 61.98 59.07 2dm8 s VAL 74 Cb -0.01 -2.36 -0.20 0.00 0.00 0.00 0.00 36.38 33.82 2dm8 s VAL 74 CO 0.02 -0.73 1.59 -0.67 0.00 0.00 0.00 175.10 175.30 2dm8 n ASP 75 N 3.90 1.27 -0.01 3.32 -0.08 -1.26 -2.98 116.55 120.71 2dm8 n ASP 75 Ca 0.04 1.18 0.08 0.00 -1.51 0.00 0.00 54.79 54.58 2dm8 n ASP 75 Cb 0.38 -0.91 -0.12 0.00 2.34 0.00 0.00 41.12 42.81 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 4.01 0.09 0.27 -2.67 4.77 -0.73 -4.38 117.00 118.37 2dm8 n LEU 76 Ca 0.30 -0.06 0.17 0.00 -0.03 0.00 0.00 56.01 56.39 2dm8 n LEU 76 Cb -0.03 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 41.96 2dm8 n LEU 76 CO 0.88 0.02 1.04 0.03 -1.33 0.00 0.00 177.39 178.03 2dm8 h ARG 77 N 0.00 0.00 -0.36 3.23 3.08 -1.82 -1.24 114.38 117.27 2dm8 h ARG 77 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 2dm8 h ARG 77 Cb 0.67 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.41 2dm8 h ARG 77 CO 0.00 0.00 -0.86 -1.71 -1.07 0.00 0.00 179.97 176.33 2dm8 n ASN 78 N -2.72 2.63 -4.36 7.04 5.15 -1.26 -4.99 115.26 116.74 2dm8 n ASN 78 Ca -0.02 -3.05 -0.23 0.00 -0.60 0.00 0.00 54.58 50.67 2dm8 n ASN 78 Cb 0.12 -0.41 -0.11 0.00 -0.53 0.00 0.00 39.78 38.85 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 -3.28 2.90 0.87 1.20 0.01 -0.47 -5.06 113.70 109.87 2dm8 s SER 79 Ca 0.39 -0.87 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2dm8 s SER 79 Cb 0.37 -0.19 0.17 0.00 0.21 0.00 0.00 66.02 66.59 2dm8 s SER 79 CO -0.04 0.00 1.07 -1.54 0.41 0.00 0.00 173.24 173.14 2dm8 n SER 80 N 0.23 0.58 0.14 2.44 3.41 -1.26 -3.54 113.62 115.62 2dm8 n SER 80 Ca -0.13 -1.69 -0.06 0.00 -0.26 0.00 0.00 58.87 56.74 2dm8 n SER 80 Cb 0.57 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 2dm8 n SER 80 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2dm8 h HIS 81 N -1.21 -0.34 -1.00 7.33 2.76 -1.94 -0.96 115.15 119.78 2dm8 h HIS 81 Ca -0.35 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.07 2dm8 h HIS 81 Cb 1.08 0.11 -0.13 0.00 1.55 0.00 0.00 27.41 30.03 2dm8 h HIS 81 CO 0.00 -0.21 0.59 1.05 -1.30 0.00 0.00 177.93 178.06 2dm8 h GLU 82 N -0.36 0.53 0.66 5.26 4.11 -1.96 -0.99 114.58 121.84 2dm8 h GLU 82 Ca -0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 2dm8 h GLU 82 Cb 0.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2dm8 h GLU 82 CO 0.06 0.35 -0.36 0.93 0.07 0.00 0.00 179.01 180.06 2dm8 h GLU 83 N 0.55 -0.91 -0.89 1.06 4.39 -1.90 -0.54 114.58 116.33 2dm8 h GLU 83 Ca 0.65 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.57 2dm8 h GLU 83 Cb 1.28 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 30.06 2dm8 h GLU 83 CO -0.49 -0.61 0.58 0.00 -1.16 0.00 0.00 179.01 177.33 2dm8 h ALA 84 N -0.64 1.85 0.44 3.43 0.00 0.07 0.17 119.26 124.58 2dm8 h ALA 84 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dm8 h ALA 84 Cb 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2dm8 h ALA 84 CO 0.11 -0.10 -0.21 0.82 0.00 0.00 0.00 179.25 179.87 2dm8 h ILE 85 N 0.67 0.51 -0.31 0.00 1.08 -0.88 -3.01 117.51 115.57 2dm8 h ILE 85 Ca 0.45 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2dm8 h ILE 85 Cb 0.76 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2dm8 h ILE 85 CO -0.21 0.07 0.21 0.74 -0.69 0.00 0.00 178.15 178.27 2dm8 h THR 86 N -0.85 0.98 0.00 -0.27 2.02 -0.58 0.69 112.91 114.91 2dm8 h THR 86 Ca -0.06 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2dm8 h THR 86 Cb 0.56 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2dm8 h THR 86 CO 0.10 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2dm8 h ALA 87 N 1.83 1.00 0.00 6.16 0.00 -0.86 -1.71 119.26 125.68 2dm8 h ALA 87 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 2dm8 h ALA 87 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2dm8 h ALA 87 CO -0.03 0.00 -1.90 1.28 0.00 0.00 0.00 179.25 178.61 2dm8 n LEU 88 N -2.39 0.53 -0.06 0.00 4.77 0.21 -4.05 117.00 116.02 2dm8 n LEU 88 Ca 0.01 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2dm8 n LEU 88 Cb 0.17 0.25 0.43 0.00 -2.33 0.00 0.00 43.42 41.95 2dm8 n LEU 88 CO 0.18 0.36 0.69 0.54 -1.33 0.00 0.00 177.39 177.82 2dm8 n ARG 89 N -2.87 0.26 -0.50 3.23 1.74 -0.86 -3.47 116.66 114.19 2dm8 n ARG 89 Ca -0.20 -0.11 0.09 0.00 -0.77 0.00 0.00 57.85 56.86 2dm8 n ARG 89 Cb 1.02 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 31.28 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 -1.27 3.37 -3.71 5.56 6.02 -0.70 -4.95 117.38 121.70 2dm8 n GLN 90 Ca 0.09 -2.73 -0.37 0.00 -0.01 0.00 0.00 57.00 53.98 2dm8 n GLN 90 Cb 0.32 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 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 -1.65 5.34 0.07 5.09 -4.23 -1.23 -5.06 115.64 113.97 2dm8 s THR 91 Ca 0.46 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.39 2dm8 s THR 91 Cb 0.29 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2dm8 s THR 91 CO 0.24 0.56 0.06 -0.81 -0.54 0.00 0.00 174.62 174.12 2dm8 n PRO 92 N 2.34 -1.13 -0.02 3.99 -0.04 -1.26 -4.93 135.00 133.94 2dm8 n PRO 92 Ca -0.17 -0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.09 2dm8 n PRO 92 Cb 0.54 -0.09 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.38 -6.21 0.54 7.50 -1.93 -3.32 115.11 111.31 2dm8 h GLN 93 Ca -0.02 0.03 -0.57 0.00 0.50 0.00 0.00 58.65 58.59 2dm8 h GLN 93 Cb 0.07 0.09 -0.09 0.00 0.05 0.00 0.00 27.48 27.59 2dm8 h GLN 93 CO 0.01 -0.25 1.30 0.15 -1.50 0.00 0.00 178.83 178.54 2dm8 s LYS 94 N -5.97 3.39 -0.36 1.46 3.01 -1.26 -0.61 119.74 119.40 2dm8 s LYS 94 Ca -0.15 -0.71 -0.20 0.00 -1.01 0.00 0.00 55.97 53.90 2dm8 s LYS 94 Cb 0.11 -4.84 0.00 0.00 -1.01 0.00 0.00 37.83 32.09 2dm8 s LYS 94 CO 0.66 -2.21 0.60 0.08 0.51 0.00 0.00 175.35 174.99 2dm8 s VAL 95 N 5.42 4.93 -0.15 3.17 1.01 0.34 -4.90 120.40 130.21 2dm8 s VAL 95 Ca 0.42 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2dm8 s VAL 95 Cb -0.04 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2dm8 s VAL 95 CO 0.01 -0.30 -0.11 -0.60 0.00 0.00 0.00 175.10 174.10 2dm8 s ARG 96 N 2.62 3.39 0.29 2.72 3.00 -1.26 -0.56 118.95 129.15 2dm8 s ARG 96 Ca 0.22 -0.66 0.02 0.00 -1.00 0.00 0.00 55.73 54.31 2dm8 s ARG 96 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 34.95 32.02 2dm8 s ARG 96 CO 0.15 0.11 0.11 -0.51 0.00 0.00 0.00 175.30 175.16 2dm8 s LEU 97 N 0.63 1.74 -0.20 -0.88 1.02 0.20 -0.03 118.68 121.16 2dm8 s LEU 97 Ca -0.06 -1.46 0.01 0.00 0.02 0.00 0.00 54.13 52.64 2dm8 s LEU 97 Cb -0.15 0.01 0.04 0.00 0.02 0.00 0.00 46.19 46.11 2dm8 s LEU 97 CO 0.03 -0.78 -0.11 -0.69 0.02 0.00 0.00 176.35 174.82 2dm8 s VAL 98 N -3.61 1.71 0.29 -1.59 1.01 -0.89 -0.45 120.40 116.88 2dm8 s VAL 98 Ca 0.36 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.37 2dm8 s VAL 98 Cb 0.07 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2dm8 s VAL 98 CO 0.15 0.19 0.22 0.68 0.00 0.00 0.00 175.10 176.35 2dm8 s VAL 99 N 1.37 3.91 -0.06 2.92 -7.23 -0.85 -0.97 120.40 119.50 2dm8 s VAL 99 Ca -0.01 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2dm8 s VAL 99 Cb -0.16 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.57 2dm8 s VAL 99 CO -0.08 -0.27 0.12 -0.47 -0.31 0.00 0.00 175.10 174.09 2dm8 s TYR 100 N -2.24 -0.10 -0.48 2.82 5.04 -1.03 -2.70 117.35 118.66 2dm8 s TYR 100 Ca 0.37 0.44 0.03 0.00 -2.44 0.00 0.00 57.07 55.46 2dm8 s TYR 100 Cb -0.07 -0.24 0.15 0.00 0.35 0.00 0.00 41.96 42.15 2dm8 s TYR 100 CO 0.25 -0.20 0.30 0.50 -1.34 0.00 0.00 175.55 175.07 2dm8 s ARG 101 N 1.73 1.45 0.76 4.97 3.52 -1.26 -3.92 118.95 126.19 2dm8 s ARG 101 Ca -0.02 -2.28 -0.16 0.00 -0.13 0.00 0.00 55.73 53.14 2dm8 s ARG 101 Cb -0.12 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 2dm8 s ARG 101 CO -0.05 -1.22 0.30 -3.47 -0.81 0.00 0.00 175.30 170.05 2dm8 n ASP 102 N 3.13 -2.09 -1.80 -2.12 2.03 -1.26 -0.12 116.55 114.33 2dm8 n ASP 102 Ca 0.14 0.52 -0.19 0.00 0.52 0.00 0.00 54.79 55.79 2dm8 n ASP 102 Cb 0.37 -1.13 0.13 0.00 -0.72 0.00 0.00 41.12 39.77 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 -0.27 2.46 -3.05 -0.67 -0.00 -1.26 -4.46 120.64 113.38 2dm8 n GLU 103 Ca 0.08 -3.38 -0.40 0.00 -0.00 0.00 0.00 57.16 53.46 2dm8 n GLU 103 Cb 0.51 -2.08 -0.05 0.00 -0.00 0.00 0.00 31.44 29.81 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 -3.47 3.39 -0.36 -1.84 0.00 -1.26 -4.93 121.76 113.29 2dm8 s ALA 104 Ca 0.53 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 2dm8 s ALA 104 Cb 0.45 -2.97 -0.14 0.00 0.00 0.00 0.00 23.12 20.46 2dm8 s ALA 104 CO 0.02 -0.22 1.50 0.72 0.00 0.00 0.00 175.76 177.78 2dm8 n HIS 105 N 4.10 0.86 -0.13 0.00 8.25 -1.26 -4.79 115.22 122.25 2dm8 n HIS 105 Ca -0.01 0.57 -0.21 0.00 -0.26 0.00 0.00 57.72 57.81 2dm8 n HIS 105 Cb 0.51 -1.63 -0.12 0.00 1.12 0.00 0.00 29.99 29.87 2dm8 n HIS 105 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2dm8 n TYR 106 N 5.17 0.03 -4.23 4.41 4.01 -1.26 -5.00 117.16 120.29 2dm8 n TYR 106 Ca 0.38 0.01 -0.30 0.00 -0.16 0.00 0.00 57.90 57.83 2dm8 n TYR 106 Cb -0.03 -1.00 -0.08 0.00 -0.31 0.00 0.00 39.34 37.92 2dm8 n TYR 106 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2dm8 n ARG 107 N -3.48 -1.47 -2.31 -0.72 0.63 -1.26 -4.91 116.66 103.15 2dm8 n ARG 107 Ca -0.47 0.16 -0.30 0.00 -0.92 0.00 0.00 57.85 56.31 2dm8 n ARG 107 Cb 0.97 -3.78 -0.01 0.00 0.45 0.00 0.00 32.46 30.09 2dm8 n ARG 107 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2dm8 s ASP 108 N -4.36 6.39 0.18 6.15 1.47 -1.26 -5.09 116.67 120.14 2dm8 s ASP 108 Ca 0.01 1.32 -0.20 0.00 1.18 0.00 0.00 52.55 54.86 2dm8 s ASP 108 Cb -0.01 -2.42 0.05 0.00 -0.34 0.00 0.00 42.92 40.21 2dm8 s ASP 108 CO 0.97 -0.67 0.57 -0.70 0.68 0.00 0.00 175.17 176.02 2dm8 s GLU 109 N -4.59 1.33 -0.05 2.11 2.56 -1.26 -5.14 118.70 113.66 2dm8 s GLU 109 Ca 0.54 -0.66 -0.30 0.00 0.00 0.00 0.00 54.97 54.55 2dm8 s GLU 109 Cb -0.10 0.56 -0.04 0.00 2.00 0.00 0.00 34.13 36.55 2dm8 s GLU 109 CO 0.43 -0.58 1.26 -2.00 -0.56 0.00 0.00 175.26 173.81 2dm8 s GLU 110 N -3.81 4.32 0.96 4.30 2.56 -1.26 -4.98 118.70 120.79 2dm8 s GLU 110 Ca 0.04 1.75 -0.15 0.00 0.00 0.00 0.00 54.97 56.61 2dm8 s GLU 110 Cb -0.01 -3.59 -0.06 0.00 2.00 0.00 0.00 34.13 32.46 2dm8 s GLU 110 CO -0.08 -0.51 -0.21 0.43 -0.56 0.00 0.00 175.26 174.32 2dm8 n SER 111 N 5.43 -4.10 0.00 -1.70 7.64 -1.26 -5.00 113.62 114.63 2dm8 n SER 111 Ca 0.12 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2dm8 n SER 111 Cb 0.45 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm8 n GLY 112 N 2.53 3.78 3.68 0.23 0.00 -1.26 -5.13 105.19 109.02 2dm8 n GLY 112 Ca 0.02 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 1.04 4.25 -0.30 1.61 0.04 -1.26 -4.99 135.00 135.39 2dm8 s PRO 113 Ca 0.00 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2dm8 s PRO 113 Cb 0.00 -3.65 0.13 0.00 0.04 0.00 0.00 34.50 31.02 2dm8 s PRO 113 CO 0.00 -0.64 0.69 0.45 0.04 0.00 0.00 177.00 177.54 2dm8 s SER 114 N 2.15 -1.06 -0.14 6.66 0.15 -1.26 -5.14 113.70 115.06 2dm8 s SER 114 Ca 0.66 1.49 -0.25 0.00 0.70 0.00 0.00 55.95 58.54 2dm8 s SER 114 Cb -0.32 2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 66.10 2dm8 s SER 114 CO 0.27 -0.21 0.83 -0.44 1.20 0.00 0.00 173.24 174.88 2dm8 s SER 115 N 2.69 6.99 0.00 5.45 0.01 -1.26 -5.31 113.70 122.27 2dm8 s SER 115 Ca -0.06 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2dm8 s SER 115 Cb -0.10 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dm8 s SER 115 CO -0.19 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.72