#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 4.63 0.13 1.61 0.01 -1.26 -4.99 113.70 113.83 2dm8 s SER 2 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2dm8 s SER 2 Cb 0.00 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2dm8 s SER 2 CO 0.00 0.30 0.00 -0.24 0.41 0.00 0.00 173.24 173.71 2dm8 n SER 3 N 2.67 0.40 0.00 2.44 2.88 -1.26 -5.16 113.62 115.59 2dm8 n SER 3 Ca -0.18 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2dm8 n SER 3 Cb 0.53 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 2.57 3.52 4.00 0.46 0.00 -1.26 -5.17 105.19 109.32 2dm8 n GLY 4 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 5.63 -0.07 1.61 0.01 -1.26 -5.05 113.70 114.57 2dm8 s SER 5 Ca 0.00 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.73 2dm8 s SER 5 Cb 0.00 -0.80 -0.19 0.00 0.21 0.00 0.00 66.02 65.24 2dm8 s SER 5 CO 0.00 -0.79 0.94 0.28 0.41 0.00 0.00 173.24 174.08 2dm8 h SER 6 N 0.55 -0.08 -4.59 2.44 0.02 -2.03 -3.48 113.55 106.39 2dm8 h SER 6 Ca -0.41 -0.54 -0.05 0.00 -0.84 0.00 0.00 61.79 59.95 2dm8 h SER 6 Cb 1.28 0.02 -0.20 0.00 0.14 0.00 0.00 62.40 63.64 2dm8 h SER 6 CO 0.48 0.56 0.17 -0.83 -1.14 0.00 0.00 176.83 176.07 2dm8 s GLY 7 N -3.48 -0.56 0.45 -3.77 0.00 -1.26 -5.03 107.32 93.67 2dm8 s GLY 7 Ca -0.15 1.62 0.30 0.00 0.00 0.00 0.00 44.72 46.49 2dm8 s GLY 7 CO 0.57 1.28 1.90 -0.56 0.00 0.00 0.00 173.10 176.29 2dm8 h PRO 8 N 3.80 0.00 0.00 2.90 0.13 -1.89 -3.22 132.00 133.73 2dm8 h PRO 8 Ca -0.28 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 2dm8 h PRO 8 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2dm8 h PRO 8 CO 0.25 0.00 -1.30 0.00 -0.23 0.00 0.00 178.00 176.72 2dm8 n ALA 9 N -1.97 1.31 -0.27 -0.56 0.00 -1.26 -4.32 120.51 113.43 2dm8 n ALA 9 Ca 0.01 -0.76 0.17 0.00 0.00 0.00 0.00 53.44 52.86 2dm8 n ALA 9 Cb 0.27 0.11 0.32 0.00 0.00 0.00 0.00 19.45 20.15 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 -4.22 -0.34 -3.93 0.00 -2.24 -1.25 -4.17 114.28 98.13 2dm8 n THR 10 Ca -0.23 1.72 -0.35 0.00 -2.27 0.00 0.00 64.05 62.92 2dm8 n THR 10 Cb 0.56 -2.60 -0.06 0.00 -2.10 0.00 0.00 70.33 66.13 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 1.43 -1.98 -2.74 0.00 -0.04 -1.26 -4.84 135.00 125.58 2dm8 n PRO 12 Ca -0.15 -0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 62.09 2dm8 n PRO 12 Cb 0.54 -0.74 -0.04 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.90 4.14 0.09 0.52 1.01 -1.26 -5.01 121.20 118.80 2dm8 s ILE 13 Ca 0.32 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 2dm8 s ILE 13 Cb -0.03 -4.72 -0.06 0.00 0.01 0.00 0.00 42.46 37.66 2dm8 s ILE 13 CO 0.25 -1.47 1.13 -0.69 0.00 0.00 0.00 174.94 174.16 2dm8 s VAL 14 N 4.59 4.11 0.73 2.92 1.01 -1.26 -5.01 120.40 127.49 2dm8 s VAL 14 Ca 0.30 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.77 2dm8 s VAL 14 Cb -0.12 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2dm8 s VAL 14 CO 0.15 0.18 1.10 -2.16 0.00 0.00 0.00 175.10 174.37 2dm8 s PRO 15 N 0.57 2.45 -0.66 2.72 0.04 -1.26 -3.16 135.00 135.70 2dm8 s PRO 15 Ca 0.54 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2dm8 s PRO 15 Cb -0.28 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dm8 s PRO 15 CO 0.31 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2dm8 n GLY 16 N -0.97 0.59 2.72 0.56 0.00 0.11 -4.84 105.19 103.36 2dm8 n GLY 16 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.46 0.41 -0.58 1.61 -1.52 -1.19 -4.97 119.66 110.96 2dm8 s GLN 17 Ca 0.00 -0.03 -0.26 0.00 -1.95 0.00 0.00 55.36 53.12 2dm8 s GLN 17 Cb 0.00 -1.36 -0.05 0.00 -0.22 0.00 0.00 33.01 31.38 2dm8 s GLN 17 CO 0.00 -0.47 2.16 -1.21 -0.25 0.00 0.00 175.29 175.52 2dm8 s GLU 18 N 2.00 2.31 0.43 2.91 2.02 -1.26 -4.61 118.70 122.50 2dm8 s GLU 18 Ca 0.03 0.92 0.08 0.00 0.02 0.00 0.00 54.97 56.02 2dm8 s GLU 18 Cb -0.14 -4.54 -0.01 0.00 0.10 0.00 0.00 34.13 29.54 2dm8 s GLU 18 CO -0.06 -3.14 0.44 0.00 0.02 0.00 0.00 175.26 172.52 2dm8 s MET 19 N 7.74 2.56 0.07 1.61 0.23 -1.14 -4.98 119.30 125.39 2dm8 s MET 19 Ca 0.83 -1.51 0.09 0.00 -1.03 0.00 0.00 55.69 54.06 2dm8 s MET 19 Cb -0.14 -2.45 -0.03 0.00 -1.53 0.00 0.00 34.83 30.67 2dm8 s MET 19 CO 0.21 -0.27 -0.22 0.42 -2.03 0.00 0.00 175.02 173.13 2dm8 s ILE 20 N -2.48 2.55 -0.06 3.16 1.09 -1.26 -2.33 121.20 121.88 2dm8 s ILE 20 Ca 0.49 -1.37 0.02 0.00 -1.10 0.00 0.00 60.65 58.69 2dm8 s ILE 20 Cb -0.05 -2.08 0.01 0.00 -1.06 0.00 0.00 42.46 39.29 2dm8 s ILE 20 CO 0.29 0.27 -0.10 0.27 -0.10 0.00 0.00 174.94 175.57 2dm8 s ILE 21 N -0.95 0.98 -0.23 2.92 -4.36 0.65 -4.19 121.20 116.02 2dm8 s ILE 21 Ca 0.14 -0.39 -0.04 0.00 -0.26 0.00 0.00 60.65 60.10 2dm8 s ILE 21 Cb -0.10 -0.91 -0.00 0.00 1.25 0.00 0.00 42.46 42.69 2dm8 s ILE 21 CO 0.05 0.32 -0.03 -0.70 0.24 0.00 0.00 174.94 174.83 2dm8 s GLU 22 N 0.69 3.27 0.03 0.37 2.12 -1.26 -0.90 118.70 123.02 2dm8 s GLU 22 Ca -0.13 -0.70 0.08 0.00 0.36 0.00 0.00 54.97 54.58 2dm8 s GLU 22 Cb -0.15 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2dm8 s GLU 22 CO 0.03 -0.26 -0.22 0.42 -0.54 0.00 0.00 175.26 174.69 2dm8 s ILE 23 N 1.46 2.44 -0.07 -3.70 1.01 -0.75 -4.85 121.20 116.74 2dm8 s ILE 23 Ca 0.05 -1.25 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 2dm8 s ILE 23 Cb -0.15 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 2dm8 s ILE 23 CO -0.03 0.39 0.37 -0.55 0.00 0.00 0.00 174.94 175.12 2dm8 s SER 24 N -1.22 6.66 0.26 3.58 0.15 -1.26 -0.25 113.70 121.62 2dm8 s SER 24 Ca 0.13 0.79 0.25 0.00 0.70 0.00 0.00 55.95 57.82 2dm8 s SER 24 Cb -0.10 -2.22 0.67 0.00 -1.71 0.00 0.00 66.02 62.65 2dm8 s SER 24 CO 0.03 0.23 1.71 0.11 1.20 0.00 0.00 173.24 176.51 2dm8 h LYS 25 N 5.51 0.00 0.00 5.44 1.57 -0.99 -3.44 116.57 124.66 2dm8 h LYS 25 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2dm8 h LYS 25 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2dm8 h LYS 25 CO 0.67 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 2dm8 n GLY 26 N 1.26 3.59 2.27 3.86 0.00 -1.26 -1.80 105.19 113.10 2dm8 n GLY 26 Ca 0.05 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 14.00 3.25 -3.59 1.61 1.74 -1.26 -4.99 116.66 127.42 2dm8 n ARG 27 Ca 0.00 -3.92 -0.06 0.00 -0.77 0.00 0.00 57.85 53.10 2dm8 n ARG 27 Cb 0.00 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.13 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 -2.86 -0.20 0.67 0.55 0.01 -0.75 -5.17 113.70 105.95 2dm8 s SER 28 Ca 0.54 0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.78 2dm8 s SER 28 Cb 0.44 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 2dm8 s SER 28 CO -0.06 -0.28 1.05 -0.83 0.41 0.00 0.00 173.24 173.54 2dm8 s GLY 29 N -1.81 1.66 0.55 3.44 0.00 -1.26 -4.69 107.32 105.21 2dm8 s GLY 29 Ca 0.06 0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 2dm8 s GLY 29 CO -0.05 0.31 1.36 1.08 0.00 0.00 0.00 173.10 175.80 2dm8 s LEU 30 N -5.41 3.85 -0.62 0.66 1.43 -1.26 -4.05 118.68 113.27 2dm8 s LEU 30 Ca 0.57 2.76 0.06 0.00 -1.03 0.00 0.00 54.13 56.49 2dm8 s LEU 30 Cb -0.13 -4.28 0.24 0.00 0.03 0.00 0.00 46.19 42.05 2dm8 s LEU 30 CO 0.55 -1.58 0.68 0.61 0.23 0.00 0.00 176.35 176.84 2dm8 n GLY 31 N 0.72 4.48 3.30 -3.19 0.00 -1.26 -4.84 105.19 104.41 2dm8 n GLY 31 Ca 0.10 -2.62 -0.17 0.00 0.00 0.00 0.00 46.02 43.34 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 -2.18 1.57 0.00 0.99 0.05 -1.26 0.71 118.68 118.57 2dm8 s LEU 32 Ca 0.37 -1.48 0.01 0.00 0.05 0.00 0.00 54.13 53.08 2dm8 s LEU 32 Cb 0.12 0.19 -0.00 0.00 -2.05 0.00 0.00 46.19 44.44 2dm8 s LEU 32 CO -0.05 -0.84 -0.02 -0.55 -0.55 0.00 0.00 176.35 174.35 2dm8 s SER 33 N -3.32 0.25 0.40 1.48 0.15 0.31 -4.88 113.70 108.08 2dm8 s SER 33 Ca 0.37 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 57.00 2dm8 s SER 33 Cb 0.06 -0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.29 2dm8 s SER 33 CO 0.16 -0.01 0.02 0.27 1.20 0.00 0.00 173.24 174.87 2dm8 s ILE 34 N -0.21 2.10 0.15 6.45 -4.36 -1.26 -0.59 121.20 123.48 2dm8 s ILE 34 Ca -0.01 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 2dm8 s ILE 34 Cb -0.02 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.76 2dm8 s ILE 34 CO -0.00 -0.04 0.31 0.68 0.24 0.00 0.00 174.94 176.13 2dm8 s VAL 35 N -2.67 0.08 0.00 8.37 -7.23 0.25 -4.70 120.40 114.49 2dm8 s VAL 35 Ca 0.35 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2dm8 s VAL 35 Cb 0.08 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.38 2dm8 s VAL 35 CO 0.18 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2dm8 n GLY 36 N -0.20 -1.79 0.00 2.32 0.00 -1.26 -1.58 105.19 102.68 2dm8 n GLY 36 Ca -0.10 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.15 0.13 -0.02 0.00 -1.26 -4.15 105.19 100.04 2dm8 n GLY 37 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 0.59 0.21 1.61 5.02 -1.26 -2.46 118.16 121.87 2dm8 n LYS 38 Ca 0.00 0.36 0.07 0.00 -2.02 0.00 0.00 58.31 56.71 2dm8 n LYS 38 Cb 0.00 -1.57 0.46 0.00 -0.02 0.00 0.00 35.03 33.89 2dm8 n LYS 38 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dm8 h ASP 39 N -0.96 0.00 -4.17 4.39 3.32 -1.98 -3.44 116.42 113.57 2dm8 h ASP 39 Ca -0.59 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 55.99 2dm8 h ASP 39 Cb 1.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.09 2dm8 h ASP 39 CO -0.35 0.29 0.37 0.42 -1.72 0.00 0.00 179.24 178.26 2dm8 s THR 40 N -3.99 4.47 -1.94 0.35 -4.23 -1.26 -4.93 115.64 104.10 2dm8 s THR 40 Ca -0.02 1.24 0.16 0.00 -1.18 0.00 0.00 61.69 61.89 2dm8 s THR 40 Cb 0.13 -3.68 0.43 0.00 1.34 0.00 0.00 72.50 70.71 2dm8 s THR 40 CO 0.67 -0.62 1.35 -0.81 -0.54 0.00 0.00 174.62 174.68 2dm8 n PRO 41 N -1.44 0.46 0.06 3.99 -0.04 -1.26 -2.77 135.00 134.00 2dm8 n PRO 41 Ca 0.07 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 2dm8 n PRO 41 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.64 2.36 1.53 4.07 -1.92 -3.47 115.31 118.53 2dm8 h LEU 42 Ca 0.00 -0.52 -0.17 0.00 0.08 0.00 0.00 57.88 57.27 2dm8 h LEU 42 Cb 0.01 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 2dm8 h LEU 42 CO 0.00 1.32 -0.22 0.59 -1.08 0.00 0.00 178.44 179.06 2dm8 n ASN 43 N -3.77 -2.97 -3.64 -0.43 3.02 -1.03 -4.85 115.26 101.58 2dm8 n ASN 43 Ca -0.08 0.29 -0.06 0.00 -0.03 0.00 0.00 54.58 54.70 2dm8 n ASN 43 Cb 0.86 -2.59 -0.07 0.00 -0.61 0.00 0.00 39.78 37.37 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 -2.40 -2.11 0.20 5.41 0.00 -1.22 -4.92 121.76 116.72 2dm8 s ALA 44 Ca 0.00 1.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.43 2dm8 s ALA 44 Cb 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 23.12 21.41 2dm8 s ALA 44 CO 0.00 -0.16 1.17 0.42 0.00 0.00 0.00 175.76 177.19 2dm8 s ILE 45 N 0.13 3.57 -0.01 0.00 -1.09 -1.26 -4.05 121.20 118.48 2dm8 s ILE 45 Ca 0.05 1.37 -0.01 0.00 -2.23 0.00 0.00 60.65 59.83 2dm8 s ILE 45 Cb -0.05 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2dm8 s ILE 45 CO -0.11 0.24 0.03 -0.69 -1.23 0.00 0.00 174.94 173.18 2dm8 s VAL 46 N -0.31 0.02 -0.30 2.92 1.01 -0.61 -2.29 120.40 120.85 2dm8 s VAL 46 Ca 0.51 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 2dm8 s VAL 46 Cb -0.32 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2dm8 s VAL 46 CO 0.38 -0.10 0.90 -0.63 0.00 0.00 0.00 175.10 175.65 2dm8 s ILE 47 N -0.28 4.70 -0.12 2.22 1.01 -0.93 0.86 121.20 128.66 2dm8 s ILE 47 Ca -0.03 1.47 -0.15 0.00 0.00 0.00 0.00 60.65 61.94 2dm8 s ILE 47 Cb -0.02 -4.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 2dm8 s ILE 47 CO -0.00 -0.29 0.40 -0.74 0.00 0.00 0.00 174.94 174.30 2dm8 h HIS 48 N 8.00 0.00 -3.83 3.97 2.76 -1.13 -0.99 115.15 123.93 2dm8 h HIS 48 Ca -0.22 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.82 2dm8 h HIS 48 Cb 1.08 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.87 2dm8 h HIS 48 CO 0.79 0.53 -0.52 -2.00 -1.30 0.00 0.00 177.93 175.43 2dm8 s GLU 49 N -1.91 0.61 -0.54 5.26 2.56 -1.24 -4.69 118.70 118.76 2dm8 s GLU 49 Ca -0.10 -0.80 0.04 0.00 0.00 0.00 0.00 54.97 54.11 2dm8 s GLU 49 Cb -0.01 0.24 0.14 0.00 2.00 0.00 0.00 34.13 36.50 2dm8 s GLU 49 CO 0.36 -0.16 0.31 0.08 -0.56 0.00 0.00 175.26 175.30 2dm8 s VAL 50 N -2.80 2.27 -0.40 3.70 1.01 -1.26 -0.53 120.40 122.38 2dm8 s VAL 50 Ca -0.03 -3.32 -0.45 0.00 0.00 0.00 0.00 61.98 58.18 2dm8 s VAL 50 Cb -0.00 -2.56 -0.19 0.00 0.00 0.00 0.00 36.38 33.63 2dm8 s VAL 50 CO -0.05 -0.89 1.56 -1.22 0.00 0.00 0.00 175.10 174.50 2dm8 n TYR 51 N 2.95 1.67 0.20 5.22 4.01 0.22 -4.74 117.16 126.70 2dm8 n TYR 51 Ca 0.10 1.05 0.10 0.00 -0.16 0.00 0.00 57.90 58.99 2dm8 n TYR 51 Cb 0.34 -2.25 0.48 0.00 -0.31 0.00 0.00 39.34 37.61 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 3.88 0.13 -1.20 -0.72 0.28 -1.26 -2.20 120.64 119.55 2dm8 n GLU 52 Ca 0.29 0.56 -0.28 0.00 -0.16 0.00 0.00 57.16 57.57 2dm8 n GLU 52 Cb -0.01 -1.87 0.06 0.00 1.43 0.00 0.00 31.44 31.05 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 -2.13 2.37 -3.83 3.44 0.28 -1.26 -4.65 120.64 114.86 2dm8 n GLU 53 Ca -0.00 -2.67 -0.09 0.00 -0.16 0.00 0.00 57.16 54.24 2dm8 n GLU 53 Cb 0.08 -2.05 -0.07 0.00 1.43 0.00 0.00 31.44 30.83 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 -1.05 0.05 0.15 -1.84 0.00 -0.93 -4.68 107.32 99.02 2dm8 s GLY 54 Ca 0.52 -0.54 -0.23 0.00 0.00 0.00 0.00 44.72 44.48 2dm8 s GLY 54 CO -0.02 -0.73 1.62 0.00 0.00 0.00 0.00 173.10 173.96 2dm8 h ALA 55 N 2.74 -0.16 -0.99 3.20 0.00 -1.85 -1.27 119.26 120.94 2dm8 h ALA 55 Ca -0.34 0.08 0.24 0.00 0.00 0.00 0.00 54.91 54.89 2dm8 h ALA 55 Cb 1.20 0.58 -0.19 0.00 0.00 0.00 0.00 17.79 19.39 2dm8 h ALA 55 CO 0.55 -0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.01 2dm8 h ALA 56 N 0.77 0.94 -0.22 0.00 0.00 -1.88 0.39 119.26 119.25 2dm8 h ALA 56 Ca 0.15 0.36 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 2dm8 h ALA 56 Cb 0.50 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dm8 h ALA 56 CO -0.44 -0.49 -0.07 0.00 0.00 0.00 0.00 179.25 178.25 2dm8 h ALA 57 N 1.99 0.31 -1.13 0.00 0.00 -1.46 -1.41 119.26 117.56 2dm8 h ALA 57 Ca 0.54 -0.27 0.37 0.00 0.00 0.00 0.00 54.91 55.55 2dm8 h ALA 57 Cb 1.01 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 2dm8 h ALA 57 CO -0.97 0.12 0.69 0.00 0.00 0.00 0.00 179.25 179.09 2dm8 h ARG 58 N 0.16 0.21 0.00 0.00 2.47 0.72 -1.21 114.38 116.72 2dm8 h ARG 58 Ca 0.05 -0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.64 2dm8 h ARG 58 Cb 0.55 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 2dm8 h ARG 58 CO 0.03 0.14 -0.67 0.22 0.56 0.00 0.00 179.97 180.24 2dm8 h ASP 59 N 0.21 0.00 0.00 7.04 1.82 -1.30 -3.48 116.42 120.71 2dm8 h ASP 59 Ca 0.76 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2dm8 h ASP 59 Cb 2.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.06 2dm8 h ASP 59 CO -0.50 1.20 0.00 0.61 -1.61 0.00 0.00 179.24 178.94 2dm8 n GLY 60 N 1.53 1.29 0.26 -0.78 0.00 -0.46 -4.90 105.19 102.14 2dm8 n GLY 60 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 3.28 0.00 -4.97 1.61 2.47 -1.87 -3.39 114.38 111.51 2dm8 h ARG 61 Ca 0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 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 0.02 -0.54 -0.51 0.56 0.00 0.00 179.97 179.50 2dm8 s LEU 62 N -8.70 3.90 0.26 3.04 1.43 -1.26 -4.98 118.68 112.37 2dm8 s LEU 62 Ca -0.05 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2dm8 s LEU 62 Cb 0.16 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2dm8 s LEU 62 CO 0.65 -0.01 0.22 0.26 0.23 0.00 0.00 176.35 177.69 2dm8 s TRP 63 N 1.53 3.10 -0.51 0.29 0.51 -1.26 -4.90 118.94 117.70 2dm8 s TRP 63 Ca 0.07 -0.13 -0.28 0.00 -2.12 0.00 0.00 56.10 53.64 2dm8 s TRP 63 Cb -0.15 -1.46 0.01 0.00 -0.81 0.00 0.00 33.47 31.06 2dm8 s TRP 63 CO 0.08 0.47 1.42 0.00 -0.51 0.00 0.00 176.95 178.41 2dm8 s ALA 64 N -2.15 2.88 0.00 0.98 0.00 -1.26 -3.51 121.76 118.70 2dm8 s ALA 64 Ca 0.34 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2dm8 s ALA 64 Cb -0.08 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2dm8 s ALA 64 CO 0.25 -2.76 0.00 0.41 0.00 0.00 0.00 175.76 173.67 2dm8 n GLY 65 N 5.20 1.11 3.86 0.00 0.00 -0.38 -4.85 105.19 110.14 2dm8 n GLY 65 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.11 5.78 -0.28 1.61 1.11 -1.23 -4.90 116.67 117.65 2dm8 s ASP 66 Ca 0.00 -0.12 -0.04 0.00 0.18 0.00 0.00 52.55 52.57 2dm8 s ASP 66 Cb 0.00 -1.56 0.02 0.00 1.07 0.00 0.00 42.92 42.45 2dm8 s ASP 66 CO 0.00 -0.02 0.02 -1.10 1.18 0.00 0.00 175.17 175.25 2dm8 s GLN 67 N -3.68 2.91 0.57 8.23 -0.21 -1.26 -2.20 119.66 124.02 2dm8 s GLN 67 Ca 0.33 -0.95 -0.15 0.00 0.02 0.00 0.00 55.36 54.61 2dm8 s GLN 67 Cb -0.09 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.66 2dm8 s GLN 67 CO 0.26 -0.45 1.01 0.42 -2.12 0.00 0.00 175.29 174.41 2dm8 s ILE 68 N 1.40 4.43 0.00 1.08 1.09 -0.97 -2.75 121.20 125.48 2dm8 s ILE 68 Ca 0.01 1.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.59 2dm8 s ILE 68 Cb -0.17 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 2dm8 s ILE 68 CO -0.01 -0.79 0.00 0.18 -0.10 0.00 0.00 174.94 174.22 2dm8 n LEU 69 N -2.08 0.59 -3.67 2.97 4.77 -0.34 -4.46 117.00 114.79 2dm8 n LEU 69 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 2dm8 n LEU 69 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2dm8 n LEU 69 CO 0.50 0.10 0.23 -0.70 -1.33 0.00 0.00 177.39 176.19 2dm8 s GLU 70 N -1.52 0.74 -0.05 3.23 2.12 -1.25 -1.27 118.70 120.70 2dm8 s GLU 70 Ca 0.00 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 2dm8 s GLU 70 Cb 0.00 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.77 2dm8 s GLU 70 CO 0.00 -0.16 0.00 0.54 -0.54 0.00 0.00 175.26 175.10 2dm8 s VAL 71 N -0.46 0.25 -1.27 3.70 0.11 -0.98 -0.76 120.40 120.99 2dm8 s VAL 71 Ca -0.06 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2dm8 s VAL 71 Cb -0.03 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2dm8 s VAL 71 CO 0.04 0.20 0.00 -3.20 -3.33 0.00 0.00 175.10 168.81 2dm8 n ASN 72 N 4.66 -4.41 -0.01 3.54 2.85 0.70 -0.55 115.26 122.03 2dm8 n ASN 72 Ca -0.16 0.15 -0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2dm8 n ASN 72 Cb 0.50 -3.74 -0.00 0.00 1.24 0.00 0.00 39.78 37.78 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 -0.83 0.37 2.80 8.20 0.00 -1.26 -5.04 105.19 109.43 2dm8 n GLY 73 Ca -0.17 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.01 1.19 0.15 1.61 1.01 0.28 -5.10 120.40 117.52 2dm8 s VAL 74 Ca 0.00 -1.58 -0.34 0.00 0.00 0.00 0.00 61.98 60.06 2dm8 s VAL 74 Cb -0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 36.38 34.34 2dm8 s VAL 74 CO 0.00 -0.64 1.17 -0.67 0.00 0.00 0.00 175.10 174.97 2dm8 n ASP 75 N 4.72 1.27 -0.00 3.32 2.03 -1.26 -2.32 116.55 124.30 2dm8 n ASP 75 Ca -0.01 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.48 2dm8 n ASP 75 Cb 0.42 -1.19 -0.06 0.00 -0.72 0.00 0.00 41.12 39.56 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 2.08 0.02 0.26 -2.67 4.77 -0.40 -4.19 117.00 116.88 2dm8 n LEU 76 Ca 0.16 -0.03 0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2dm8 n LEU 76 Cb 0.23 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.14 2dm8 n LEU 76 CO 0.61 0.01 1.15 0.03 -1.33 0.00 0.00 177.39 177.85 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 3.08 -1.84 0.66 114.38 119.51 2dm8 h ARG 77 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dm8 h ARG 77 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2dm8 h ARG 77 CO 0.00 0.00 -0.76 0.09 -1.07 0.00 0.00 179.97 178.23 2dm8 n ASN 78 N -3.19 1.62 -4.79 7.04 4.13 -1.26 -4.91 115.26 113.90 2dm8 n ASN 78 Ca 0.01 -0.38 -0.36 0.00 1.68 0.00 0.00 54.58 55.53 2dm8 n ASN 78 Cb 0.42 1.14 -0.06 0.00 -1.54 0.00 0.00 39.78 39.75 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2dm8 s SER 79 N -2.17 6.99 0.93 6.41 0.01 0.22 -4.97 113.70 121.11 2dm8 s SER 79 Ca 0.00 1.87 -0.14 0.00 1.31 0.00 0.00 55.95 58.99 2dm8 s SER 79 Cb 0.05 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.89 2dm8 s SER 79 CO 0.30 -0.32 1.28 -0.94 0.41 0.00 0.00 173.24 173.96 2dm8 s SER 80 N -1.76 3.35 0.08 2.44 1.04 -1.26 -4.53 113.70 113.06 2dm8 s SER 80 Ca 0.57 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 56.98 2dm8 s SER 80 Cb -0.17 -0.38 -0.12 0.00 0.10 0.00 0.00 66.02 65.45 2dm8 s SER 80 CO 0.22 -2.58 1.45 -0.74 0.98 0.00 0.00 173.24 172.57 2dm8 h HIS 81 N -1.50 -1.23 0.00 5.02 2.76 -1.90 -1.44 115.15 116.87 2dm8 h HIS 81 Ca -0.44 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 57.78 2dm8 h HIS 81 Cb 1.25 0.51 -0.04 0.00 1.55 0.00 0.00 27.41 30.68 2dm8 h HIS 81 CO -0.94 -0.50 -0.44 0.93 -1.30 0.00 0.00 177.93 175.69 2dm8 h GLU 82 N -0.65 -0.53 -0.97 5.26 5.08 -1.94 -1.94 114.58 118.88 2dm8 h GLU 82 Ca -0.01 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.55 2dm8 h GLU 82 Cb 0.63 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.84 2dm8 h GLU 82 CO -0.20 -0.35 -0.33 0.39 -1.00 0.00 0.00 179.01 177.51 2dm8 n GLU 83 N -4.90 -0.18 -0.20 2.33 4.71 -1.15 0.71 120.64 121.96 2dm8 n GLU 83 Ca -0.06 1.50 -0.00 0.00 -0.01 0.00 0.00 57.16 58.59 2dm8 n GLU 83 Cb 0.32 -2.24 0.10 0.00 -1.01 0.00 0.00 31.44 28.62 2dm8 n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dm8 h ALA 84 N 1.55 0.75 -0.17 0.62 0.00 -0.59 0.61 119.26 122.03 2dm8 h ALA 84 Ca 0.38 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.41 2dm8 h ALA 84 Cb 0.62 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2dm8 h ALA 84 CO -0.98 -0.21 -0.03 0.82 0.00 0.00 0.00 179.25 178.85 2dm8 h ILE 85 N 0.38 0.85 -0.73 0.00 1.08 0.10 -2.30 117.51 116.89 2dm8 h ILE 85 Ca 0.30 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.73 2dm8 h ILE 85 Cb 0.37 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 2dm8 h ILE 85 CO -0.31 0.00 0.31 0.74 -0.69 0.00 0.00 178.15 178.20 2dm8 h THR 86 N 0.02 1.24 0.00 -0.27 2.02 -0.59 -1.53 112.91 113.80 2dm8 h THR 86 Ca 0.08 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2dm8 h THR 86 Cb 0.11 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2dm8 h THR 86 CO -0.16 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2dm8 h ALA 87 N 1.29 1.00 0.00 6.16 0.00 -0.34 0.66 119.26 128.03 2dm8 h ALA 87 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2dm8 h ALA 87 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2dm8 h ALA 87 CO -0.02 0.00 -1.31 1.28 0.00 0.00 0.00 179.25 179.20 2dm8 n LEU 88 N -2.61 0.76 0.05 0.00 4.77 -0.59 -3.93 117.00 115.44 2dm8 n LEU 88 Ca -0.02 0.31 0.03 0.00 -0.03 0.00 0.00 56.01 56.31 2dm8 n LEU 88 Cb 0.06 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2dm8 n LEU 88 CO 0.15 -0.00 -0.26 0.54 -1.33 0.00 0.00 177.39 176.48 2dm8 n ARG 89 N -2.74 0.62 -0.32 3.23 1.74 0.04 -3.85 116.66 115.39 2dm8 n ARG 89 Ca -0.06 0.17 0.05 0.00 -0.77 0.00 0.00 57.85 57.24 2dm8 n ARG 89 Cb 0.70 -1.79 0.19 0.00 -1.02 0.00 0.00 32.46 30.54 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 2.41 -3.38 5.56 6.02 -0.16 -4.89 117.38 120.14 2dm8 n GLN 90 Ca -0.07 -1.53 -0.38 0.00 -0.01 0.00 0.00 57.00 55.00 2dm8 n GLN 90 Cb 0.75 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.67 4.96 0.00 5.09 -4.23 -1.25 -5.05 115.64 113.49 2dm8 s THR 91 Ca 0.28 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 2dm8 s THR 91 Cb 0.17 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2dm8 s THR 91 CO 0.14 0.52 0.00 -0.81 -0.54 0.00 0.00 174.62 173.93 2dm8 n PRO 92 N 2.18 -0.07 0.09 3.99 -0.04 -1.26 -4.94 135.00 134.95 2dm8 n PRO 92 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2dm8 n PRO 92 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 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 -5.60 0.54 7.50 -1.97 -3.34 115.11 111.86 2dm8 h GLN 93 Ca 0.00 0.03 -0.63 0.00 0.50 0.00 0.00 58.65 58.55 2dm8 h GLN 93 Cb 0.00 0.09 -0.13 0.00 0.05 0.00 0.00 27.48 27.48 2dm8 h GLN 93 CO 0.00 -0.25 0.86 0.15 -1.50 0.00 0.00 178.83 178.09 2dm8 s LYS 94 N -6.08 3.33 -0.57 1.46 3.01 -1.26 -0.38 119.74 119.24 2dm8 s LYS 94 Ca -0.15 -1.03 -0.22 0.00 -1.01 0.00 0.00 55.97 53.56 2dm8 s LYS 94 Cb 0.08 -4.59 0.06 0.00 -1.01 0.00 0.00 37.83 32.37 2dm8 s LYS 94 CO 0.66 -1.93 0.86 0.08 0.51 0.00 0.00 175.35 175.53 2dm8 s VAL 95 N 4.13 4.51 -0.06 3.17 1.01 0.65 -4.87 120.40 128.94 2dm8 s VAL 95 Ca 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2dm8 s VAL 95 Cb -0.09 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2dm8 s VAL 95 CO 0.02 -1.14 0.15 -0.60 0.00 0.00 0.00 175.10 173.53 2dm8 s ARG 96 N 3.60 3.38 0.17 2.72 3.52 -1.26 -1.81 118.95 129.28 2dm8 s ARG 96 Ca 0.23 -0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.50 2dm8 s ARG 96 Cb -0.16 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 2dm8 s ARG 96 CO 0.14 0.72 0.24 -0.51 -0.81 0.00 0.00 175.30 175.08 2dm8 s LEU 97 N -1.50 1.09 -0.23 -0.88 1.02 -0.08 -0.22 118.68 117.89 2dm8 s LEU 97 Ca 0.21 -1.00 0.00 0.00 0.02 0.00 0.00 54.13 53.37 2dm8 s LEU 97 Cb -0.12 0.97 0.03 0.00 0.02 0.00 0.00 46.19 47.09 2dm8 s LEU 97 CO 0.11 -0.88 -0.11 -0.69 0.02 0.00 0.00 176.35 174.81 2dm8 s VAL 98 N -4.01 2.48 0.28 -1.59 1.01 0.06 -0.25 120.40 118.37 2dm8 s VAL 98 Ca 0.21 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2dm8 s VAL 98 Cb 0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2dm8 s VAL 98 CO 0.02 0.22 0.28 0.68 0.00 0.00 0.00 175.10 176.31 2dm8 s VAL 99 N 1.25 4.36 -0.17 2.92 -7.23 -0.98 -1.20 120.40 119.35 2dm8 s VAL 99 Ca -0.01 -1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 2dm8 s VAL 99 Cb -0.17 -3.44 0.07 0.00 0.56 0.00 0.00 36.38 33.40 2dm8 s VAL 99 CO -0.07 -0.28 0.16 -0.47 -0.31 0.00 0.00 175.10 174.13 2dm8 s TYR 100 N -2.15 -0.09 -0.77 2.82 5.04 -1.11 -2.86 117.35 118.23 2dm8 s TYR 100 Ca 0.36 0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 55.07 2dm8 s TYR 100 Cb -0.08 -0.46 0.19 0.00 0.35 0.00 0.00 41.96 41.96 2dm8 s TYR 100 CO 0.27 -0.50 0.62 0.50 -1.34 0.00 0.00 175.55 175.10 2dm8 s ARG 101 N 2.25 2.95 0.76 4.97 3.52 -1.26 -4.26 118.95 127.88 2dm8 s ARG 101 Ca 0.05 -2.95 -0.16 0.00 -0.13 0.00 0.00 55.73 52.53 2dm8 s ARG 101 Cb -0.15 -3.85 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 2dm8 s ARG 101 CO -0.10 -1.23 0.27 -0.40 -0.81 0.00 0.00 175.30 173.03 2dm8 n ASP 102 N 2.83 -2.20 -0.02 -2.12 5.68 -1.26 0.04 116.55 119.50 2dm8 n ASP 102 Ca 0.15 0.52 -0.01 0.00 -0.50 0.00 0.00 54.79 54.95 2dm8 n ASP 102 Cb 0.37 -1.11 -0.04 0.00 -1.14 0.00 0.00 41.12 39.20 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2dm8 n GLU 103 N -0.18 2.32 -0.01 0.11 0.28 -1.26 -4.45 120.64 117.45 2dm8 n GLU 103 Ca 0.08 -0.02 -0.03 0.00 -0.16 0.00 0.00 57.16 57.04 2dm8 n GLU 103 Cb 0.51 -1.12 -0.02 0.00 1.43 0.00 0.00 31.44 32.24 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm8 h ALA 104 N 0.30 -0.45 -2.27 -1.84 0.00 -2.00 -3.42 119.26 109.58 2dm8 h ALA 104 Ca -0.09 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.34 2dm8 h ALA 104 Cb 0.97 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2dm8 h ALA 104 CO 0.00 -0.49 -0.33 -1.01 0.00 0.00 0.00 179.25 177.43 2dm8 s HIS 105 N -3.47 3.47 -0.07 0.00 3.76 -1.26 -5.02 115.29 112.70 2dm8 s HIS 105 Ca -0.03 0.17 0.11 0.00 -0.15 0.00 0.00 55.06 55.17 2dm8 s HIS 105 Cb 0.01 -1.73 0.17 0.00 1.11 0.00 0.00 32.58 32.14 2dm8 s HIS 105 CO 0.11 0.32 1.08 0.66 -0.85 0.00 0.00 174.74 176.06 2dm8 n TYR 106 N -1.41 0.00 1.00 1.40 4.02 -1.26 -4.75 117.16 116.16 2dm8 n TYR 106 Ca -0.07 -0.58 0.01 0.00 -0.01 0.00 0.00 57.90 57.25 2dm8 n TYR 106 Cb 0.56 -0.11 0.05 0.00 -0.02 0.00 0.00 39.34 39.83 2dm8 n TYR 106 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2dm8 n ARG 107 N -0.84 1.46 0.21 -0.72 0.63 -1.26 -4.09 116.66 112.06 2dm8 n ARG 107 Ca 0.09 -0.43 0.17 0.00 -0.92 0.00 0.00 57.85 56.76 2dm8 n ARG 107 Cb 0.65 -1.46 0.82 0.00 0.45 0.00 0.00 32.46 32.93 2dm8 n ARG 107 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2dm8 h ASP 108 N 0.58 0.00 -4.66 6.15 2.03 -1.98 -3.43 116.42 115.11 2dm8 h ASP 108 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 2dm8 h ASP 108 Cb 0.55 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.94 2dm8 h ASP 108 CO 0.05 0.00 -0.42 -0.62 -1.03 0.00 0.00 179.24 177.22 2dm8 n GLU 109 N -3.87 0.67 -3.92 4.15 -0.58 -1.26 -5.03 120.64 110.80 2dm8 n GLU 109 Ca 0.01 -3.12 -0.10 0.00 -0.42 0.00 0.00 57.16 53.53 2dm8 n GLU 109 Cb 0.31 1.52 -0.12 0.00 -0.57 0.00 0.00 31.44 32.59 2dm8 n GLU 109 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dm8 s GLU 110 N -3.43 0.25 -1.33 3.49 0.41 -1.26 -4.87 118.70 111.96 2dm8 s GLU 110 Ca 0.15 -0.37 -0.05 0.00 -0.41 0.00 0.00 54.97 54.30 2dm8 s GLU 110 Cb 0.01 0.10 0.02 0.00 -1.78 0.00 0.00 34.13 32.47 2dm8 s GLU 110 CO 0.11 -0.05 0.96 0.45 -0.49 0.00 0.00 175.26 176.24 2dm8 n SER 111 N 2.04 -3.35 0.00 -0.19 2.88 -1.26 -4.69 113.62 109.05 2dm8 n SER 111 Ca -0.20 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2dm8 n SER 111 Cb 0.57 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.44 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm8 n GLY 112 N -1.57 2.66 0.00 0.46 0.00 -1.26 -4.77 105.19 100.71 2dm8 n GLY 112 Ca -0.16 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 43.82 2dm8 n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm8 n PRO 113 N -1.06 0.27 -4.30 1.61 -0.04 -1.26 -4.71 135.00 125.51 2dm8 n PRO 113 Ca 0.00 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 2dm8 n PRO 113 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 2.59 0.38 3.54 0.15 -1.26 -4.90 113.70 111.75 2dm8 s SER 114 Ca 0.16 -0.76 0.04 0.00 0.70 0.00 0.00 55.95 56.09 2dm8 s SER 114 Cb 0.10 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 2dm8 s SER 114 CO 0.22 0.02 0.14 -0.94 1.20 0.00 0.00 173.24 173.88 2dm8 s SER 115 N -2.22 2.46 0.00 5.45 1.04 -1.26 -4.47 113.70 114.69 2dm8 s SER 115 Ca 0.10 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.89 2dm8 s SER 115 Cb -0.08 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2dm8 s SER 115 CO 0.05 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.97