#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 0.31 -3.64 1.61 0.02 -2.13 -3.47 113.55 106.25 2dm8 h SER 2 Ca 0.00 -0.86 -0.43 0.00 -0.84 0.00 0.00 61.79 59.66 2dm8 h SER 2 Cb 0.00 -0.10 0.18 0.00 0.14 0.00 0.00 62.40 62.62 2dm8 h SER 2 CO 0.00 1.47 0.15 -0.44 -1.14 0.00 0.00 176.83 176.87 2dm8 s SER 3 N -6.89 1.57 0.00 3.07 0.01 -1.26 -4.92 113.70 105.27 2dm8 s SER 3 Ca -0.19 0.88 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2dm8 s SER 3 Cb 0.03 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.94 2dm8 s SER 3 CO 0.75 -3.75 0.00 0.61 0.41 0.00 0.00 173.24 171.26 2dm8 n GLY 4 N -0.93 -0.16 3.16 3.44 0.00 -1.26 -5.09 105.19 104.35 2dm8 n GLY 4 Ca 0.09 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2dm8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm8 s SER 5 N -4.00 3.00 -0.48 1.61 0.15 -1.26 -5.07 113.70 107.66 2dm8 s SER 5 Ca 0.00 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.11 2dm8 s SER 5 Cb 0.00 -1.39 0.15 0.00 -1.71 0.00 0.00 66.02 63.08 2dm8 s SER 5 CO 0.00 0.08 0.32 -0.55 1.20 0.00 0.00 173.24 174.29 2dm8 s SER 6 N 0.79 3.10 0.00 5.45 0.15 -1.26 -5.08 113.70 116.85 2dm8 s SER 6 Ca -0.08 -2.97 0.00 0.00 0.70 0.00 0.00 55.95 53.59 2dm8 s SER 6 Cb -0.16 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2dm8 s SER 6 CO -0.01 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dm8 n GLY 7 N 3.05 2.53 0.00 9.45 0.00 -1.26 -5.09 105.19 113.86 2dm8 n GLY 7 Ca 0.18 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2dm8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm8 n PRO 8 N -0.23 0.49 -2.55 1.61 -0.04 -1.26 -4.68 135.00 128.34 2dm8 n PRO 8 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2dm8 n PRO 8 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 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 -3.00 -0.27 0.21 0.55 0.00 -1.26 -4.94 120.51 111.79 2dm8 n ALA 9 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.55 2dm8 n ALA 9 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.42 0.00 -3.61 0.00 -2.24 -1.26 -5.03 114.28 98.72 2dm8 n THR 10 Ca -0.02 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 2dm8 n THR 10 Cb 0.53 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 s PRO 12 N -0.18 3.50 -0.10 0.00 0.04 -1.26 -4.88 135.00 132.11 2dm8 s PRO 12 Ca -0.01 1.66 -0.34 0.00 0.04 0.00 0.00 61.00 62.35 2dm8 s PRO 12 Cb -0.03 -2.14 -0.16 0.00 0.04 0.00 0.00 34.50 32.20 2dm8 s PRO 12 CO -0.00 -0.74 0.99 -0.89 0.04 0.00 0.00 177.00 176.40 2dm8 n ILE 13 N -1.02 0.00 -4.72 0.56 5.41 -1.26 -4.93 119.36 113.40 2dm8 n ILE 13 Ca 0.10 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.52 2dm8 n ILE 13 Cb 0.50 -0.10 -0.16 0.00 -0.71 0.00 0.00 39.64 39.17 2dm8 n ILE 13 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2dm8 s VAL 14 N 0.61 2.53 1.04 1.39 1.01 -1.26 -5.12 120.40 120.60 2dm8 s VAL 14 Ca 0.78 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2dm8 s VAL 14 Cb -1.09 -2.04 0.21 0.00 0.00 0.00 0.00 36.38 33.46 2dm8 s VAL 14 CO 0.52 0.53 1.10 -2.16 0.00 0.00 0.00 175.10 175.09 2dm8 s PRO 15 N 0.65 0.06 0.00 2.72 0.04 -1.26 -3.83 135.00 133.38 2dm8 s PRO 15 Ca -0.09 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2dm8 s PRO 15 Cb -0.16 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2dm8 s PRO 15 CO 0.02 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.52 2dm8 n GLY 16 N -1.05 1.07 3.44 0.56 0.00 -0.92 -4.88 105.19 103.40 2dm8 n GLY 16 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2dm8 n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dm8 s GLN 17 N 0.00 1.58 0.26 1.61 -2.07 -1.25 -4.90 119.66 114.90 2dm8 s GLN 17 Ca 0.00 -1.74 -0.18 0.00 -1.82 0.00 0.00 55.36 51.62 2dm8 s GLN 17 Cb 0.00 -1.51 -0.09 0.00 -1.09 0.00 0.00 33.01 30.32 2dm8 s GLN 17 CO 0.00 0.24 0.73 -1.21 -1.32 0.00 0.00 175.29 173.73 2dm8 s GLU 18 N -3.58 4.16 0.09 9.60 8.01 -1.26 -4.53 118.70 131.18 2dm8 s GLU 18 Ca 0.28 0.79 -0.04 0.00 0.01 0.00 0.00 54.97 56.01 2dm8 s GLU 18 Cb -0.02 -2.70 -0.02 0.00 -4.31 0.00 0.00 34.13 27.08 2dm8 s GLU 18 CO 0.13 0.30 0.09 0.00 0.01 0.00 0.00 175.26 175.78 2dm8 s MET 19 N -2.37 0.79 0.20 1.61 0.23 -1.02 -5.02 119.30 113.72 2dm8 s MET 19 Ca 0.47 -1.15 0.07 0.00 -1.03 0.00 0.00 55.69 54.06 2dm8 s MET 19 Cb -0.14 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 2dm8 s MET 19 CO 0.20 -0.22 0.05 0.42 -2.03 0.00 0.00 175.02 173.44 2dm8 s ILE 20 N -3.92 3.91 -0.03 3.16 1.09 -1.26 -1.79 121.20 122.36 2dm8 s ILE 20 Ca 0.10 -1.46 -0.01 0.00 -1.10 0.00 0.00 60.65 58.17 2dm8 s ILE 20 Cb 0.06 -3.02 0.02 0.00 -1.06 0.00 0.00 42.46 38.46 2dm8 s ILE 20 CO -0.08 -0.20 0.05 0.27 -0.10 0.00 0.00 174.94 174.88 2dm8 s ILE 21 N -1.92 -0.04 -0.25 2.92 -4.36 -0.20 -4.64 121.20 112.70 2dm8 s ILE 21 Ca 0.30 0.14 0.03 0.00 -0.26 0.00 0.00 60.65 60.85 2dm8 s ILE 21 Cb -0.09 -0.10 0.06 0.00 1.25 0.00 0.00 42.46 43.58 2dm8 s ILE 21 CO 0.21 0.06 -0.11 -0.70 0.24 0.00 0.00 174.94 174.63 2dm8 s GLU 22 N 0.75 2.32 -0.09 0.37 2.12 -1.26 -1.45 118.70 121.45 2dm8 s GLU 22 Ca -0.06 -1.30 0.01 0.00 0.36 0.00 0.00 54.97 53.99 2dm8 s GLU 22 Cb -0.09 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 2dm8 s GLU 22 CO -0.03 -0.54 -0.13 0.42 -0.54 0.00 0.00 175.26 174.45 2dm8 s ILE 23 N 1.13 3.11 -0.15 -3.70 1.01 0.71 -4.89 121.20 118.41 2dm8 s ILE 23 Ca -0.07 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 2dm8 s ILE 23 Cb -0.19 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2dm8 s ILE 23 CO -0.06 0.55 0.54 -0.55 0.00 0.00 0.00 174.94 175.42 2dm8 s SER 24 N -0.15 6.68 -0.39 3.58 0.15 -1.26 -0.92 113.70 121.40 2dm8 s SER 24 Ca -0.01 0.81 -0.27 0.00 0.70 0.00 0.00 55.95 57.18 2dm8 s SER 24 Cb -0.13 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2dm8 s SER 24 CO 0.03 -0.11 2.20 -0.54 1.20 0.00 0.00 173.24 176.02 2dm8 s LYS 25 N 1.16 2.69 0.00 5.44 1.02 0.79 -4.95 119.74 125.89 2dm8 s LYS 25 Ca 0.27 1.54 0.00 0.00 0.02 0.00 0.00 55.97 57.80 2dm8 s LYS 25 Cb -0.16 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.72 2dm8 s LYS 25 CO 0.11 -2.61 0.00 0.41 -0.92 0.00 0.00 175.35 172.34 2dm8 n GLY 26 N 5.81 0.36 0.28 -3.33 0.00 -1.26 -4.87 105.19 102.18 2dm8 n GLY 26 Ca 0.30 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.14 -4.71 1.61 0.63 -1.26 -4.21 116.66 108.58 2dm8 n ARG 27 Ca 0.00 1.14 -0.32 0.00 -0.92 0.00 0.00 57.85 57.74 2dm8 n ARG 27 Cb 0.00 -1.69 -0.12 0.00 0.45 0.00 0.00 32.46 31.10 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 -5.24 4.21 1.08 6.15 0.01 -1.26 -5.11 113.70 113.53 2dm8 s SER 28 Ca -0.10 -0.21 -0.13 0.00 1.31 0.00 0.00 55.95 56.82 2dm8 s SER 28 Cb 0.16 -0.90 0.19 0.00 0.21 0.00 0.00 66.02 65.69 2dm8 s SER 28 CO 0.54 0.31 0.76 0.61 0.41 0.00 0.00 173.24 175.87 2dm8 n GLY 29 N 1.96 -1.75 0.26 3.44 0.00 -1.26 -3.27 105.19 104.58 2dm8 n GLY 29 Ca -0.17 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.67 -0.11 -3.60 0.99 4.77 -1.26 -1.77 117.00 112.35 2dm8 n LEU 30 Ca 0.05 1.29 -0.29 0.00 -0.03 0.00 0.00 56.01 57.04 2dm8 n LEU 30 Cb 0.55 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2dm8 n LEU 30 CO 0.53 -1.30 -0.05 0.61 -1.33 0.00 0.00 177.39 175.85 2dm8 n GLY 31 N -1.39 -1.03 1.83 -0.72 0.00 -1.26 -1.98 105.19 100.63 2dm8 n GLY 31 Ca 0.17 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.51 2dm8 n GLY 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dm8 n LEU 32 N -4.02 0.00 -3.92 0.99 -0.00 -1.26 -3.27 117.00 105.52 2dm8 n LEU 32 Ca -0.09 -1.61 -0.10 0.00 -0.00 0.00 0.00 56.01 54.21 2dm8 n LEU 32 Cb 0.60 0.23 -0.10 0.00 -0.00 0.00 0.00 43.42 44.14 2dm8 n LEU 32 CO 0.66 -0.23 -0.24 -0.55 -0.00 0.00 0.00 177.39 177.02 2dm8 s SER 33 N -2.40 0.14 0.28 1.45 0.15 -0.55 -4.92 113.70 107.85 2dm8 s SER 33 Ca 0.01 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.32 2dm8 s SER 33 Cb 0.00 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 2dm8 s SER 33 CO 0.01 -0.39 0.22 0.27 1.20 0.00 0.00 173.24 174.55 2dm8 s ILE 34 N -1.74 0.01 -0.25 6.45 -4.36 -1.26 -2.03 121.20 118.02 2dm8 s ILE 34 Ca -0.13 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.08 2dm8 s ILE 34 Cb -0.07 -2.50 0.07 0.00 1.25 0.00 0.00 42.46 41.22 2dm8 s ILE 34 CO -0.01 0.00 0.65 0.68 0.24 0.00 0.00 174.94 176.50 2dm8 s VAL 35 N -3.72 -0.00 0.00 8.37 -7.23 0.75 -4.54 120.40 114.03 2dm8 s VAL 35 Ca 0.40 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 2dm8 s VAL 35 Cb 0.04 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 36.06 2dm8 s VAL 35 CO 0.22 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 2dm8 n GLY 36 N 3.56 0.80 0.00 2.32 0.00 -1.26 -1.74 105.19 108.87 2dm8 n GLY 36 Ca -0.17 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.91 0.56 0.36 -0.02 0.00 -0.94 -2.51 105.19 101.73 2dm8 n GLY 37 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 0.42 -0.43 1.61 5.02 -1.25 -4.35 118.16 119.19 2dm8 n LYS 38 Ca 0.00 0.18 -0.06 0.00 -2.02 0.00 0.00 58.31 56.40 2dm8 n LYS 38 Cb 0.00 -1.21 0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -4.03 4.14 -4.36 4.39 8.00 -1.26 -4.85 116.55 118.59 2dm8 n ASP 39 Ca -0.30 -2.50 -0.19 0.00 0.71 0.00 0.00 54.79 52.52 2dm8 n ASP 39 Cb 0.64 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 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 -0.89 1.77 -1.63 -3.53 -4.23 -1.26 -5.02 115.64 100.85 2dm8 s THR 40 Ca 0.14 -2.22 0.15 0.00 -1.18 0.00 0.00 61.69 58.58 2dm8 s THR 40 Cb 0.11 -2.08 0.33 0.00 1.34 0.00 0.00 72.50 72.20 2dm8 s THR 40 CO 0.02 -0.57 1.39 -0.81 -0.54 0.00 0.00 174.62 174.11 2dm8 n PRO 41 N -0.40 0.31 -4.22 3.99 -0.04 -1.26 -4.57 135.00 128.81 2dm8 n PRO 41 Ca -0.08 0.09 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 2dm8 n PRO 41 Cb 0.60 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.37 1.38 -0.17 1.53 2.34 -1.26 -5.02 118.68 115.12 2dm8 s LEU 42 Ca 0.17 -0.28 0.00 0.00 0.06 0.00 0.00 54.13 54.09 2dm8 s LEU 42 Cb 0.10 -0.78 0.15 0.00 -0.56 0.00 0.00 46.19 45.10 2dm8 s LEU 42 CO 0.21 -0.05 1.75 0.59 -1.06 0.00 0.00 176.35 177.80 2dm8 n ASN 43 N 4.36 5.05 -3.74 1.48 4.13 -1.26 -2.21 115.26 123.08 2dm8 n ASN 43 Ca -0.18 -2.69 -0.13 0.00 1.68 0.00 0.00 54.58 53.26 2dm8 n ASN 43 Cb 0.51 -0.92 -0.10 0.00 -1.54 0.00 0.00 39.78 37.73 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dm8 s ALA 44 N -1.04 -0.96 -0.11 5.41 0.00 -1.26 -4.87 121.76 118.92 2dm8 s ALA 44 Ca 0.18 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 2dm8 s ALA 44 Cb 0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2dm8 s ALA 44 CO 0.01 -0.18 0.87 0.42 0.00 0.00 0.00 175.76 176.88 2dm8 s ILE 45 N 0.20 4.88 -0.01 0.00 -1.09 -1.26 -4.22 121.20 119.70 2dm8 s ILE 45 Ca -0.00 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.21 2dm8 s ILE 45 Cb -0.03 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 2dm8 s ILE 45 CO 0.01 0.08 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.99 2dm8 s VAL 46 N 1.74 0.88 -0.74 2.92 1.01 -0.71 -1.90 120.40 123.60 2dm8 s VAL 46 Ca 0.42 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 2dm8 s VAL 46 Cb -0.18 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2dm8 s VAL 46 CO 0.17 0.25 1.57 -0.63 0.00 0.00 0.00 175.10 176.46 2dm8 s ILE 47 N -0.20 3.59 0.14 2.22 1.01 -1.16 -0.18 121.20 126.63 2dm8 s ILE 47 Ca 0.03 0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 2dm8 s ILE 47 Cb -0.05 -4.51 -0.01 0.00 0.01 0.00 0.00 42.46 37.90 2dm8 s ILE 47 CO -0.00 -1.45 1.61 -0.74 0.00 0.00 0.00 174.94 174.36 2dm8 h HIS 48 N 11.84 -0.83 -2.30 3.97 -0.00 -1.64 -3.21 115.15 122.98 2dm8 h HIS 48 Ca -0.18 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.15 2dm8 h HIS 48 Cb 1.08 0.39 -0.21 0.00 -0.00 0.00 0.00 27.41 28.66 2dm8 h HIS 48 CO 1.13 -0.38 0.00 -2.00 -0.00 0.00 0.00 177.93 176.68 2dm8 s GLU 49 N -6.02 0.76 -0.60 5.26 2.12 -1.24 -4.81 118.70 114.16 2dm8 s GLU 49 Ca -0.15 0.66 -0.07 0.00 0.36 0.00 0.00 54.97 55.77 2dm8 s GLU 49 Cb 0.11 0.36 0.16 0.00 0.26 0.00 0.00 34.13 35.02 2dm8 s GLU 49 CO 0.66 -0.13 0.45 0.08 -0.54 0.00 0.00 175.26 175.78 2dm8 s VAL 50 N -0.06 4.14 -0.19 3.70 1.01 -1.26 -1.49 120.40 126.25 2dm8 s VAL 50 Ca -0.03 -2.47 -0.37 0.00 0.00 0.00 0.00 61.98 59.11 2dm8 s VAL 50 Cb -0.04 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 2dm8 s VAL 50 CO 0.03 -0.86 1.83 -1.22 0.00 0.00 0.00 175.10 174.88 2dm8 n TYR 51 N 4.06 2.19 -0.09 5.22 4.01 -1.20 -4.87 117.16 126.48 2dm8 n TYR 51 Ca 0.04 0.26 -0.08 0.00 -0.16 0.00 0.00 57.90 57.95 2dm8 n TYR 51 Cb 0.41 -2.57 -0.06 0.00 -0.31 0.00 0.00 39.34 36.81 2dm8 n TYR 51 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2dm8 h GLU 52 N 8.39 -0.22 -0.98 -0.72 3.07 -1.95 0.49 114.58 122.66 2dm8 h GLU 52 Ca -0.47 0.02 0.29 0.00 -0.50 0.00 0.00 59.36 58.69 2dm8 h GLU 52 Cb 1.30 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.22 2dm8 h GLU 52 CO 0.96 -0.15 1.18 1.05 -1.40 0.00 0.00 179.01 180.65 2dm8 h GLU 53 N -0.23 0.00 -7.00 2.33 4.11 -1.92 -3.35 114.58 108.52 2dm8 h GLU 53 Ca 0.05 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.95 2dm8 h GLU 53 Cb 0.36 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.70 2dm8 h GLU 53 CO -0.38 0.00 0.58 0.20 0.07 0.00 0.00 179.01 179.48 2dm8 s GLY 54 N -3.46 2.87 0.15 1.06 0.00 0.17 -4.76 107.32 103.35 2dm8 s GLY 54 Ca -0.03 1.19 -0.22 0.00 0.00 0.00 0.00 44.72 45.67 2dm8 s GLY 54 CO 0.46 1.72 1.64 0.00 0.00 0.00 0.00 173.10 176.92 2dm8 h ALA 55 N 2.05 -0.09 -1.10 3.20 0.00 -0.70 -0.66 119.26 121.96 2dm8 h ALA 55 Ca -0.50 0.08 0.38 0.00 0.00 0.00 0.00 54.91 54.87 2dm8 h ALA 55 Cb 1.27 0.46 -0.15 0.00 0.00 0.00 0.00 17.79 19.37 2dm8 h ALA 55 CO 0.60 -0.64 0.65 0.00 0.00 0.00 0.00 179.25 179.86 2dm8 h ALA 56 N 0.86 2.26 -0.14 0.00 0.00 -1.82 0.55 119.26 120.96 2dm8 h ALA 56 Ca 0.14 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2dm8 h ALA 56 Cb 0.43 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2dm8 h ALA 56 CO -0.37 -0.91 -0.55 0.00 0.00 0.00 0.00 179.25 177.42 2dm8 h ALA 57 N 1.80 0.25 -0.86 0.00 0.00 -1.32 -2.64 119.26 116.49 2dm8 h ALA 57 Ca 0.78 -0.52 0.22 0.00 0.00 0.00 0.00 54.91 55.40 2dm8 h ALA 57 Cb 2.08 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.71 2dm8 h ALA 57 CO -0.58 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.30 2dm8 h ARG 58 N 0.26 0.16 -0.00 0.00 2.47 0.69 -1.27 114.38 116.70 2dm8 h ARG 58 Ca -0.03 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2dm8 h ARG 58 Cb 1.18 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2dm8 h ARG 58 CO 0.11 0.11 -0.00 0.22 0.56 0.00 0.00 179.97 180.97 2dm8 h ASP 59 N 0.17 0.00 -0.21 7.04 3.58 -1.53 -3.49 116.42 121.99 2dm8 h ASP 59 Ca 0.52 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2dm8 h ASP 59 Cb 1.03 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2dm8 h ASP 59 CO -0.68 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2dm8 n GLY 60 N 0.90 1.12 0.09 -0.78 0.00 -0.48 -5.04 105.19 101.01 2dm8 n GLY 60 Ca -0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.34 0.50 -2.58 1.61 5.12 -1.24 -4.90 116.66 114.83 2dm8 n ARG 61 Ca 0.00 0.20 -0.43 0.00 -1.93 0.00 0.00 57.85 55.69 2dm8 n ARG 61 Cb 0.13 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 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 -7.77 3.86 -0.10 0.55 1.43 -1.26 -4.93 118.68 110.46 2dm8 s LEU 62 Ca -0.27 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 2dm8 s LEU 62 Cb 0.04 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2dm8 s LEU 62 CO 0.41 -1.01 -0.01 0.26 0.23 0.00 0.00 176.35 176.23 2dm8 s TRP 63 N 3.99 3.11 -0.38 0.29 0.51 -1.26 -4.80 118.94 120.40 2dm8 s TRP 63 Ca 0.49 0.10 -0.33 0.00 -2.12 0.00 0.00 56.10 54.23 2dm8 s TRP 63 Cb -0.12 -1.81 -0.10 0.00 -0.81 0.00 0.00 33.47 30.62 2dm8 s TRP 63 CO 0.20 0.37 2.25 0.00 -0.51 0.00 0.00 176.95 179.26 2dm8 n ALA 64 N 2.39 1.13 0.00 0.98 0.00 -1.26 -3.24 120.51 120.51 2dm8 n ALA 64 Ca -0.18 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2dm8 n ALA 64 Cb 0.53 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 6.37 0.95 3.56 0.00 0.00 -1.21 -5.05 105.19 109.81 2dm8 n GLY 65 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 2dm8 n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dm8 s ASP 66 N -0.99 3.97 -0.33 1.61 -1.08 -1.20 -4.99 116.67 113.66 2dm8 s ASP 66 Ca 0.00 -0.98 -0.01 0.00 -0.52 0.00 0.00 52.55 51.04 2dm8 s ASP 66 Cb 0.00 -0.48 0.07 0.00 -1.46 0.00 0.00 42.92 41.05 2dm8 s ASP 66 CO 0.00 -0.10 0.05 -1.10 0.52 0.00 0.00 175.17 174.54 2dm8 s GLN 67 N -3.62 2.19 0.34 4.34 -0.21 -1.26 -2.98 119.66 118.46 2dm8 s GLN 67 Ca 0.32 -1.49 -0.26 0.00 0.02 0.00 0.00 55.36 53.95 2dm8 s GLN 67 Cb -0.02 -3.26 -0.09 0.00 1.00 0.00 0.00 33.01 30.63 2dm8 s GLN 67 CO 0.17 -0.77 1.02 0.42 -2.12 0.00 0.00 175.29 174.01 2dm8 s ILE 68 N 1.17 3.84 -0.07 1.08 1.09 -0.80 -3.03 121.20 124.49 2dm8 s ILE 68 Ca -0.00 1.55 0.05 0.00 -1.10 0.00 0.00 60.65 61.15 2dm8 s ILE 68 Cb -0.20 -3.87 -0.07 0.00 -1.06 0.00 0.00 42.46 37.25 2dm8 s ILE 68 CO -0.03 0.15 -0.00 0.18 -0.10 0.00 0.00 174.94 175.14 2dm8 n LEU 69 N 0.46 0.72 -3.93 2.97 4.77 -0.65 -4.29 117.00 117.06 2dm8 n LEU 69 Ca 0.02 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 2dm8 n LEU 69 Cb 0.49 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2dm8 n LEU 69 CO 0.47 0.28 0.16 -0.70 -1.33 0.00 0.00 177.39 176.26 2dm8 s GLU 70 N -2.16 1.43 -0.24 3.23 2.12 -1.26 -2.26 118.70 119.55 2dm8 s GLU 70 Ca -0.05 -1.15 -0.11 0.00 0.36 0.00 0.00 54.97 54.02 2dm8 s GLU 70 Cb 0.02 0.46 0.09 0.00 0.26 0.00 0.00 34.13 34.97 2dm8 s GLU 70 CO 0.25 -0.58 0.56 0.54 -0.54 0.00 0.00 175.26 175.48 2dm8 s VAL 71 N -3.97 -0.44 -1.39 3.70 0.11 -0.93 -2.71 120.40 114.76 2dm8 s VAL 71 Ca 0.18 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 59.18 2dm8 s VAL 71 Cb 0.00 -0.84 0.09 0.00 -1.53 0.00 0.00 36.38 34.10 2dm8 s VAL 71 CO 0.04 0.02 0.61 -3.20 -3.33 0.00 0.00 175.10 169.25 2dm8 n ASN 72 N 4.89 -3.86 -1.63 3.54 2.85 0.68 -0.53 115.26 121.19 2dm8 n ASN 72 Ca -0.16 -0.54 -0.10 0.00 -0.11 0.00 0.00 54.58 53.68 2dm8 n ASN 72 Cb 0.53 -3.17 0.03 0.00 1.24 0.00 0.00 39.78 38.41 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 -1.28 0.28 2.67 8.20 0.00 -1.26 -5.03 105.19 108.77 2dm8 n GLY 73 Ca 0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.00 0.35 -0.08 1.61 1.01 0.31 -5.11 120.40 115.48 2dm8 s VAL 74 Ca 0.20 -0.64 -0.35 0.00 0.00 0.00 0.00 61.98 61.19 2dm8 s VAL 74 Cb -0.09 -1.02 -0.12 0.00 0.00 0.00 0.00 36.38 35.14 2dm8 s VAL 74 CO 0.25 -0.39 1.83 -0.67 0.00 0.00 0.00 175.10 176.11 2dm8 n ASP 75 N 5.10 3.26 -0.11 3.32 2.03 -1.26 -2.19 116.55 126.70 2dm8 n ASP 75 Ca -0.07 1.00 -0.18 0.00 0.52 0.00 0.00 54.79 56.06 2dm8 n ASP 75 Cb 0.46 -1.35 -0.13 0.00 -0.72 0.00 0.00 41.12 39.39 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 6.09 2.69 -0.30 -2.67 4.77 -0.96 -3.79 117.00 122.82 2dm8 n LEU 76 Ca 0.22 -0.09 0.27 0.00 -0.03 0.00 0.00 56.01 56.39 2dm8 n LEU 76 Cb 0.27 -0.81 0.46 0.00 -2.33 0.00 0.00 43.42 41.01 2dm8 n LEU 76 CO 0.73 0.89 0.83 0.54 -1.33 0.00 0.00 177.39 179.05 2dm8 n ARG 77 N -3.24 -0.03 -0.09 3.23 5.12 -1.21 0.46 116.66 120.91 2dm8 n ARG 77 Ca -0.43 0.91 -0.23 0.00 -1.93 0.00 0.00 57.85 56.16 2dm8 n ARG 77 Cb 1.01 -1.75 -0.12 0.00 -1.16 0.00 0.00 32.46 30.45 2dm8 n ARG 77 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2dm8 n ASN 78 N -4.23 1.96 -4.22 0.55 3.02 -1.26 -4.77 115.26 106.31 2dm8 n ASN 78 Ca 0.28 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.75 2dm8 n ASN 78 Cb 1.06 -0.84 0.06 0.00 -0.61 0.00 0.00 39.78 39.44 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dm8 n SER 79 N -4.02 -3.92 -4.95 6.41 7.64 0.17 -4.52 113.62 110.44 2dm8 n SER 79 Ca -0.39 0.37 -0.23 0.00 1.01 0.00 0.00 58.87 59.62 2dm8 n SER 79 Cb 0.86 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 2dm8 n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dm8 s SER 80 N -1.29 6.26 0.01 6.43 0.15 -1.26 -3.80 113.70 120.19 2dm8 s SER 80 Ca 0.51 0.39 -0.02 0.00 0.70 0.00 0.00 55.95 57.53 2dm8 s SER 80 Cb -0.27 -1.97 -0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2dm8 s SER 80 CO 0.72 -0.30 0.77 1.57 1.20 0.00 0.00 173.24 177.20 2dm8 n HIS 81 N -1.77 -0.03 -0.17 3.44 -0.00 -1.05 -0.32 115.22 115.33 2dm8 n HIS 81 Ca -0.05 0.08 -0.13 0.00 0.46 0.00 0.00 57.72 58.08 2dm8 n HIS 81 Cb 0.56 -0.38 -0.09 0.00 -0.12 0.00 0.00 29.99 29.96 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 -0.33 -0.86 1.57 5.08 -1.95 0.87 114.58 118.95 2dm8 h GLU 82 Ca 0.01 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.62 2dm8 h GLU 82 Cb 0.03 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.21 2dm8 h GLU 82 CO -0.06 -0.22 0.16 0.93 -1.00 0.00 0.00 179.01 178.82 2dm8 h GLU 83 N -0.34 0.15 -0.76 2.33 4.39 -1.33 0.41 114.58 119.43 2dm8 h GLU 83 Ca 0.10 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dm8 h GLU 83 Cb 0.58 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 2dm8 h GLU 83 CO -0.64 0.10 0.41 0.00 -1.16 0.00 0.00 179.01 177.72 2dm8 h ALA 84 N 1.79 0.98 -0.32 3.43 0.00 0.17 -0.90 119.26 124.40 2dm8 h ALA 84 Ca 0.53 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.33 2dm8 h ALA 84 Cb 1.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2dm8 h ALA 84 CO -0.69 0.50 0.19 0.82 0.00 0.00 0.00 179.25 180.06 2dm8 h ILE 85 N 1.05 1.04 -0.51 0.00 1.08 0.12 -2.49 117.51 117.80 2dm8 h ILE 85 Ca 0.27 -0.13 -0.09 0.00 -0.39 0.00 0.00 64.86 64.51 2dm8 h ILE 85 Cb 0.05 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2dm8 h ILE 85 CO -0.04 0.07 -0.05 0.74 -0.69 0.00 0.00 178.15 178.18 2dm8 h THR 86 N 0.39 1.26 -0.07 -0.27 2.02 -1.04 -2.49 112.91 112.70 2dm8 h THR 86 Ca 0.13 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2dm8 h THR 86 Cb -0.00 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2dm8 h THR 86 CO -0.06 0.40 0.07 0.00 0.37 0.00 0.00 175.52 176.30 2dm8 h ALA 87 N 1.11 1.79 0.00 6.16 0.00 -0.78 0.18 119.26 127.72 2dm8 h ALA 87 Ca 0.15 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2dm8 h ALA 87 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2dm8 h ALA 87 CO 0.03 -0.10 -0.70 -0.07 0.00 0.00 0.00 179.25 178.41 2dm8 h LEU 88 N 0.00 0.00 0.00 0.00 3.38 -1.03 -3.30 115.31 114.37 2dm8 h LEU 88 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2dm8 h LEU 88 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2dm8 h LEU 88 CO -0.00 0.37 -1.32 0.03 0.09 0.00 0.00 178.44 177.60 2dm8 h ARG 89 N 0.00 0.00 -0.49 1.13 3.08 -0.78 -3.30 114.38 114.03 2dm8 h ARG 89 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2dm8 h ARG 89 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2dm8 h ARG 89 CO 0.04 0.41 0.00 1.04 -1.07 0.00 0.00 179.97 180.39 2dm8 n GLN 90 N -3.00 1.92 -3.00 0.04 6.02 0.41 -4.87 117.38 114.90 2dm8 n GLN 90 Ca -0.09 -1.03 -0.40 0.00 -0.01 0.00 0.00 57.00 55.47 2dm8 n GLN 90 Cb 0.88 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 30.67 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2dm8 s THR 91 N -1.64 4.89 1.01 5.09 -4.23 -1.24 -5.05 115.64 114.47 2dm8 s THR 91 Ca 0.19 1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 62.13 2dm8 s THR 91 Cb 0.11 -4.09 0.19 0.00 1.34 0.00 0.00 72.50 70.06 2dm8 s THR 91 CO 0.10 0.30 1.09 -2.16 -0.54 0.00 0.00 174.62 173.41 2dm8 s PRO 92 N 0.39 0.38 0.25 3.99 0.04 -1.26 -4.86 135.00 133.93 2dm8 s PRO 92 Ca 0.39 0.51 0.09 0.00 0.04 0.00 0.00 61.00 62.02 2dm8 s PRO 92 Cb -0.19 -1.73 0.79 0.00 0.04 0.00 0.00 34.50 33.41 2dm8 s PRO 92 CO 0.21 -2.77 1.17 1.04 0.04 0.00 0.00 177.00 176.69 2dm8 n GLN 93 N -4.20 -0.05 -3.14 4.56 6.02 -1.26 -2.86 117.38 116.45 2dm8 n GLN 93 Ca 0.05 1.07 -0.45 0.00 -0.01 0.00 0.00 57.00 57.66 2dm8 n GLN 93 Cb 0.57 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2dm8 n GLN 93 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2dm8 s LYS 94 N -5.39 3.33 -0.11 -1.09 1.02 -1.26 -0.15 119.74 116.08 2dm8 s LYS 94 Ca -0.08 -1.78 -0.22 0.00 0.02 0.00 0.00 55.97 53.91 2dm8 s LYS 94 Cb 0.24 -4.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.05 2dm8 s LYS 94 CO 0.58 -1.51 0.65 0.08 -0.92 0.00 0.00 175.35 174.23 2dm8 s VAL 95 N 1.89 5.06 -0.00 3.17 1.01 -0.10 -4.91 120.40 126.52 2dm8 s VAL 95 Ca 0.18 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.53 2dm8 s VAL 95 Cb -0.16 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2dm8 s VAL 95 CO -0.02 0.22 -0.21 -0.60 0.00 0.00 0.00 175.10 174.49 2dm8 s ARG 96 N 1.09 1.63 0.16 2.72 3.00 -1.26 -0.21 118.95 126.09 2dm8 s ARG 96 Ca 0.33 -0.79 -0.10 0.00 -1.00 0.00 0.00 55.73 54.18 2dm8 s ARG 96 Cb -0.17 -1.62 -0.00 0.00 0.00 0.00 0.00 34.95 33.16 2dm8 s ARG 96 CO 0.14 0.44 0.30 -0.51 0.00 0.00 0.00 175.30 175.68 2dm8 s LEU 97 N -0.63 0.89 -0.28 -0.88 1.02 -0.53 -0.23 118.68 118.04 2dm8 s LEU 97 Ca 0.08 -0.82 0.01 0.00 0.02 0.00 0.00 54.13 53.42 2dm8 s LEU 97 Cb -0.08 1.28 0.06 0.00 0.02 0.00 0.00 46.19 47.46 2dm8 s LEU 97 CO -0.00 -0.90 -0.06 -0.69 0.02 0.00 0.00 176.35 174.71 2dm8 s VAL 98 N -3.95 2.49 0.11 -1.59 1.01 -1.10 -1.04 120.40 116.34 2dm8 s VAL 98 Ca 0.16 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.61 2dm8 s VAL 98 Cb 0.03 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2dm8 s VAL 98 CO -0.01 -0.08 0.17 0.68 0.00 0.00 0.00 175.10 175.87 2dm8 s VAL 99 N 1.16 4.89 -0.10 2.92 -7.23 -0.74 -1.63 120.40 119.66 2dm8 s VAL 99 Ca -0.07 -0.75 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 2dm8 s VAL 99 Cb -0.20 -3.44 0.04 0.00 0.56 0.00 0.00 36.38 33.35 2dm8 s VAL 99 CO -0.04 0.02 0.07 -0.47 -0.31 0.00 0.00 175.10 174.37 2dm8 s TYR 100 N -1.59 0.14 -0.53 2.82 5.04 -1.17 -2.43 117.35 119.63 2dm8 s TYR 100 Ca 0.32 -0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.91 2dm8 s TYR 100 Cb -0.12 -0.59 0.14 0.00 0.35 0.00 0.00 41.96 41.75 2dm8 s TYR 100 CO 0.25 -0.35 0.33 0.50 -1.34 0.00 0.00 175.55 174.95 2dm8 s ARG 101 N 2.15 2.28 0.59 4.97 3.52 -1.26 -4.08 118.95 127.12 2dm8 s ARG 101 Ca 0.04 -2.27 -0.20 0.00 -0.13 0.00 0.00 55.73 53.16 2dm8 s ARG 101 Cb -0.14 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 2dm8 s ARG 101 CO -0.06 -1.13 1.32 0.34 -0.81 0.00 0.00 175.30 174.97 2dm8 s ASP 102 N 1.01 5.00 -0.48 -2.12 2.15 -1.26 -2.17 116.67 118.79 2dm8 s ASP 102 Ca 0.14 2.68 0.03 0.00 0.43 0.00 0.00 52.55 55.82 2dm8 s ASP 102 Cb -0.22 -2.63 0.47 0.00 -0.30 0.00 0.00 42.92 40.25 2dm8 s ASP 102 CO -0.04 -1.75 1.67 -1.84 -0.17 0.00 0.00 175.17 173.05 2dm8 n GLU 103 N -1.42 2.89 -4.05 4.34 -0.00 -1.26 -4.72 120.64 116.42 2dm8 n GLU 103 Ca 0.13 -3.57 -0.33 0.00 -0.00 0.00 0.00 57.16 53.39 2dm8 n GLU 103 Cb 0.47 -2.23 -0.15 0.00 -0.00 0.00 0.00 31.44 29.53 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 -3.65 2.52 -1.37 -1.84 0.00 -1.26 -4.70 121.76 111.47 2dm8 s ALA 104 Ca 0.57 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2dm8 s ALA 104 Cb 0.46 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 22.14 2dm8 s ALA 104 CO 0.02 -0.75 1.04 0.72 0.00 0.00 0.00 175.76 176.78 2dm8 n HIS 105 N 4.58 -2.48 0.00 0.00 8.25 -1.26 -4.87 115.22 119.44 2dm8 n HIS 105 Ca -0.17 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 2dm8 n HIS 105 Cb 0.47 -4.71 0.00 0.00 1.12 0.00 0.00 29.99 26.87 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 -4.66 0.00 -3.35 4.41 4.01 -1.26 -5.04 117.16 111.26 2dm8 n TYR 106 Ca -0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.27 2dm8 n TYR 106 Cb 0.59 0.17 -0.08 0.00 -0.31 0.00 0.00 39.34 39.72 2dm8 n TYR 106 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2dm8 s ARG 107 N -1.87 4.13 0.84 -0.72 0.52 -1.26 -5.06 118.95 115.53 2dm8 s ARG 107 Ca 0.00 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.31 2dm8 s ARG 107 Cb 0.00 -3.58 0.10 0.00 0.52 0.00 0.00 34.95 32.00 2dm8 s ARG 107 CO 0.00 -0.13 1.15 -0.51 0.02 0.00 0.00 175.30 175.83 2dm8 s ASP 108 N 1.22 3.54 -0.59 0.23 1.01 -1.26 -4.95 116.67 115.88 2dm8 s ASP 108 Ca 0.19 2.16 -0.21 0.00 0.71 0.00 0.00 52.55 55.41 2dm8 s ASP 108 Cb -0.15 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.29 2dm8 s ASP 108 CO 0.09 -2.69 0.80 -0.70 0.21 0.00 0.00 175.17 172.88 2dm8 s GLU 109 N -4.51 3.12 -0.26 8.23 2.56 -1.26 -5.01 118.70 121.56 2dm8 s GLU 109 Ca 0.68 -0.93 -0.03 0.00 0.00 0.00 0.00 54.97 54.68 2dm8 s GLU 109 Cb -0.23 -4.19 0.02 0.00 2.00 0.00 0.00 34.13 31.73 2dm8 s GLU 109 CO 0.54 -1.55 -0.02 -2.00 -0.56 0.00 0.00 175.26 171.67 2dm8 s GLU 110 N 3.29 2.89 0.18 4.30 2.56 -1.26 -5.09 118.70 125.56 2dm8 s GLU 110 Ca 0.18 -0.96 -0.07 0.00 0.00 0.00 0.00 54.97 54.13 2dm8 s GLU 110 Cb -0.19 -3.11 -0.02 0.00 2.00 0.00 0.00 34.13 32.81 2dm8 s GLU 110 CO 0.10 -0.42 0.25 0.45 -0.56 0.00 0.00 175.26 175.08 2dm8 s SER 111 N 1.37 0.09 0.00 -1.70 0.15 -1.26 -5.16 113.70 107.18 2dm8 s SER 111 Ca 0.01 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2dm8 s SER 111 Cb -0.17 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dm8 s SER 111 CO -0.02 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.13 2dm8 n GLY 112 N -0.23 -0.59 3.77 9.45 0.00 -1.26 -5.16 105.19 111.17 2dm8 n GLY 112 Ca -0.04 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.61 2.34 0.03 1.61 0.04 -1.26 -5.01 135.00 132.15 2dm8 s PRO 113 Ca 0.00 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2dm8 s PRO 113 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dm8 s PRO 113 CO 0.00 -1.58 0.00 -1.13 0.04 0.00 0.00 177.00 174.33 2dm8 n SER 114 N -3.35 0.32 -3.66 6.66 3.41 -1.26 -5.11 113.62 110.63 2dm8 n SER 114 Ca 0.09 0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 2dm8 n SER 114 Cb 0.53 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 2dm8 n SER 114 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dm8 s SER 115 N -5.29 -0.55 0.00 4.04 0.15 -1.26 -5.36 113.70 105.43 2dm8 s SER 115 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2dm8 s SER 115 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2dm8 s SER 115 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74