#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 6.43 -0.59 1.61 0.15 -1.26 -5.02 113.70 115.02 2dm8 s SER 2 Ca 0.00 0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.68 2dm8 s SER 2 Cb 0.00 -2.32 0.09 0.00 -1.71 0.00 0.00 66.02 62.08 2dm8 s SER 2 CO 0.00 -0.53 0.74 -0.55 1.20 0.00 0.00 173.24 174.10 2dm8 s SER 3 N 1.73 6.19 0.38 5.45 0.15 -1.26 -5.03 113.70 121.31 2dm8 s SER 3 Ca 0.24 -1.27 0.04 0.00 0.70 0.00 0.00 55.95 55.66 2dm8 s SER 3 Cb -0.15 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 2dm8 s SER 3 CO 0.13 -1.13 0.05 -0.83 1.20 0.00 0.00 173.24 172.66 2dm8 s GLY 4 N 3.49 2.37 -0.19 9.45 0.00 -1.26 -5.12 107.32 116.05 2dm8 s GLY 4 Ca 0.14 -1.86 -0.22 0.00 0.00 0.00 0.00 44.72 42.79 2dm8 s GLY 4 CO 0.08 -1.94 0.67 -0.56 0.00 0.00 0.00 173.10 171.35 2dm8 s SER 5 N -3.61 6.74 -0.50 1.64 0.01 -1.26 -5.01 113.70 111.71 2dm8 s SER 5 Ca 0.31 0.91 0.03 0.00 1.31 0.00 0.00 55.95 58.51 2dm8 s SER 5 Cb 0.08 -2.37 0.15 0.00 0.21 0.00 0.00 66.02 64.08 2dm8 s SER 5 CO 0.15 -0.29 0.32 -0.44 0.41 0.00 0.00 173.24 173.38 2dm8 s SER 6 N 1.18 3.62 0.52 2.44 0.01 -1.26 -5.11 113.70 115.09 2dm8 s SER 6 Ca 0.31 -3.02 -0.21 0.00 1.31 0.00 0.00 55.95 54.34 2dm8 s SER 6 Cb -0.16 -1.13 -0.07 0.00 0.21 0.00 0.00 66.02 64.87 2dm8 s SER 6 CO 0.11 -0.21 1.00 0.61 0.41 0.00 0.00 173.24 175.16 2dm8 n GLY 7 N 3.03 -0.23 0.00 3.44 0.00 -1.26 -4.85 105.19 105.31 2dm8 n GLY 7 Ca 0.14 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.46 0.25 -0.08 1.61 -0.04 -1.26 -2.61 135.00 132.40 2dm8 n PRO 8 Ca 0.11 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 2dm8 n PRO 8 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2dm8 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dm8 n ALA 9 N -1.24 1.36 -1.37 0.55 0.00 -1.26 -3.77 120.51 114.79 2dm8 n ALA 9 Ca 0.08 -1.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.13 2dm8 n ALA 9 Cb 0.11 -0.32 0.08 0.00 0.00 0.00 0.00 19.45 19.32 2dm8 n ALA 9 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dm8 n THR 10 N -3.13 3.62 -3.83 0.00 5.66 -1.07 -4.92 114.28 110.62 2dm8 n THR 10 Ca -0.36 -3.01 -0.12 0.00 -3.05 0.00 0.00 64.05 57.51 2dm8 n THR 10 Cb 1.06 -1.16 -0.11 0.00 -1.55 0.00 0.00 70.33 68.56 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dm8 s PRO 12 N -0.36 -0.17 -0.48 0.00 0.04 -1.26 -4.98 135.00 127.79 2dm8 s PRO 12 Ca -0.05 0.31 -0.16 0.00 0.04 0.00 0.00 61.00 61.14 2dm8 s PRO 12 Cb -0.03 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.89 2dm8 s PRO 12 CO 0.01 -3.09 0.45 0.42 0.04 0.00 0.00 177.00 174.82 2dm8 s ILE 13 N -2.98 5.14 -0.15 0.56 1.01 -1.26 -5.05 121.20 118.47 2dm8 s ILE 13 Ca 0.67 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 2dm8 s ILE 13 Cb -0.16 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 2dm8 s ILE 13 CO 0.57 -0.61 0.96 0.54 0.00 0.00 0.00 174.94 176.39 2dm8 s VAL 14 N 1.91 4.79 0.62 2.92 0.11 -1.26 -5.03 120.40 124.46 2dm8 s VAL 14 Ca 0.07 1.90 -0.17 0.00 -2.93 0.00 0.00 61.98 60.86 2dm8 s VAL 14 Cb -0.22 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.35 2dm8 s VAL 14 CO 0.08 -0.03 1.12 -2.16 -3.33 0.00 0.00 175.10 170.78 2dm8 s PRO 15 N 2.30 3.00 0.00 1.54 0.04 -1.26 -3.45 135.00 137.18 2dm8 s PRO 15 Ca 0.44 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dm8 s PRO 15 Cb -0.17 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dm8 s PRO 15 CO 0.14 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2dm8 n GLY 16 N -0.27 0.96 3.49 0.56 0.00 -1.05 -4.80 105.19 104.09 2dm8 n GLY 16 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 3.21 -0.01 1.61 -0.21 -1.22 -4.92 119.66 118.11 2dm8 s GLN 17 Ca 0.00 -0.85 -0.36 0.00 0.02 0.00 0.00 55.36 54.18 2dm8 s GLN 17 Cb 0.00 -3.90 -0.14 0.00 1.00 0.00 0.00 33.01 29.97 2dm8 s GLN 17 CO 0.00 -0.61 1.66 0.39 -2.12 0.00 0.00 175.29 174.61 2dm8 n GLU 18 N 5.14 1.80 -4.36 2.91 4.71 -1.26 -4.63 120.64 124.94 2dm8 n GLU 18 Ca -0.12 0.65 -0.20 0.00 -0.01 0.00 0.00 57.16 57.48 2dm8 n GLU 18 Cb 0.48 -2.41 -0.10 0.00 -1.01 0.00 0.00 31.44 28.40 2dm8 n GLU 18 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dm8 s MET 19 N 2.30 1.37 0.04 3.49 0.23 -1.12 -5.03 119.30 120.57 2dm8 s MET 19 Ca 0.88 -1.56 0.03 0.00 -1.03 0.00 0.00 55.69 54.00 2dm8 s MET 19 Cb -0.80 -1.28 -0.04 0.00 -1.53 0.00 0.00 34.83 31.18 2dm8 s MET 19 CO 0.49 0.23 0.01 0.42 -2.03 0.00 0.00 175.02 174.14 2dm8 s ILE 20 N -2.63 4.14 -0.04 3.16 1.09 -1.26 -1.71 121.20 123.95 2dm8 s ILE 20 Ca 0.22 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 59.06 2dm8 s ILE 20 Cb -0.03 -2.90 -0.01 0.00 -1.06 0.00 0.00 42.46 38.46 2dm8 s ILE 20 CO 0.08 0.27 -0.17 0.27 -0.10 0.00 0.00 174.94 175.29 2dm8 s ILE 21 N -1.19 1.39 -0.23 2.92 -4.36 0.66 -4.66 121.20 115.72 2dm8 s ILE 21 Ca 0.23 -0.71 0.02 0.00 -0.26 0.00 0.00 60.65 59.92 2dm8 s ILE 21 Cb -0.12 -1.19 0.05 0.00 1.25 0.00 0.00 42.46 42.46 2dm8 s ILE 21 CO 0.14 0.40 -0.10 -0.70 0.24 0.00 0.00 174.94 174.92 2dm8 s GLU 22 N -0.06 2.07 -0.14 0.37 2.12 -1.25 -1.32 118.70 120.50 2dm8 s GLU 22 Ca -0.01 -1.10 -0.01 0.00 0.36 0.00 0.00 54.97 54.20 2dm8 s GLU 22 Cb -0.10 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 2dm8 s GLU 22 CO 0.01 -0.52 -0.11 0.42 -0.54 0.00 0.00 175.26 174.52 2dm8 s ILE 23 N 1.26 3.17 -0.43 -3.70 1.01 -0.77 -4.52 121.20 117.22 2dm8 s ILE 23 Ca -0.05 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 2dm8 s ILE 23 Cb -0.18 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.95 2dm8 s ILE 23 CO -0.07 0.51 0.68 -0.55 0.00 0.00 0.00 174.94 175.51 2dm8 s SER 24 N 0.50 6.37 -0.23 3.58 0.15 -1.26 -1.35 113.70 121.46 2dm8 s SER 24 Ca -0.08 -0.19 -0.37 0.00 0.70 0.00 0.00 55.95 56.01 2dm8 s SER 24 Cb -0.15 -2.34 -0.14 0.00 -1.71 0.00 0.00 66.02 61.68 2dm8 s SER 24 CO 0.04 -0.78 1.86 0.29 1.20 0.00 0.00 173.24 175.85 2dm8 n LYS 25 N 6.34 1.50 0.00 5.44 5.02 0.74 -4.93 118.16 132.26 2dm8 n LYS 25 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2dm8 n LYS 25 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2dm8 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dm8 n GLY 26 N 4.63 1.23 0.30 0.72 0.00 -1.26 -4.90 105.19 105.91 2dm8 n GLY 26 Ca 0.27 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.09 -4.26 1.61 0.63 -1.26 -4.34 116.66 108.95 2dm8 n ARG 27 Ca 0.00 1.27 -0.28 0.00 -0.92 0.00 0.00 57.85 57.93 2dm8 n ARG 27 Cb 0.00 -1.90 -0.09 0.00 0.45 0.00 0.00 32.46 30.91 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dm8 s SER 28 N -5.22 4.36 1.04 6.15 0.15 -1.26 -5.11 113.70 113.80 2dm8 s SER 28 Ca -0.12 -0.48 -0.19 0.00 0.70 0.00 0.00 55.95 55.86 2dm8 s SER 28 Cb 0.21 -0.80 0.06 0.00 -1.71 0.00 0.00 66.02 63.78 2dm8 s SER 28 CO 0.63 0.13 -0.25 0.61 1.20 0.00 0.00 173.24 175.56 2dm8 n GLY 29 N 0.28 -2.54 0.33 9.45 0.00 -1.26 -3.61 105.19 107.83 2dm8 n GLY 29 Ca -0.12 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.39 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dm8 h LEU 30 N -2.02 -0.51 -2.59 0.99 3.38 -1.93 -2.69 115.31 109.94 2dm8 h LEU 30 Ca -0.40 0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 2dm8 h LEU 30 Cb 1.14 0.47 0.13 0.00 0.09 0.00 0.00 40.66 42.49 2dm8 h LEU 30 CO 0.27 -0.30 -0.57 0.61 0.09 0.00 0.00 178.44 178.53 2dm8 n GLY 31 N -1.50 -0.65 3.43 0.83 0.00 -1.26 -2.09 105.19 103.96 2dm8 n GLY 31 Ca 0.19 0.35 -0.23 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.63 1.89 0.08 0.99 0.05 -1.26 -1.58 118.68 114.21 2dm8 s LEU 32 Ca 0.30 -1.69 -0.01 0.00 0.05 0.00 0.00 54.13 52.79 2dm8 s LEU 32 Cb -0.04 0.11 -0.04 0.00 -2.05 0.00 0.00 46.19 44.17 2dm8 s LEU 32 CO 0.54 -0.97 -0.01 -0.55 -0.55 0.00 0.00 176.35 174.82 2dm8 s SER 33 N -3.52 0.49 0.27 1.48 0.15 0.19 -4.84 113.70 107.92 2dm8 s SER 33 Ca 0.29 -1.06 -0.05 0.00 0.70 0.00 0.00 55.95 55.83 2dm8 s SER 33 Cb 0.03 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 2dm8 s SER 33 CO 0.18 -0.63 0.38 0.27 1.20 0.00 0.00 173.24 174.64 2dm8 s ILE 34 N -3.93 0.00 0.29 6.45 -4.36 -1.26 -2.63 121.20 115.75 2dm8 s ILE 34 Ca 0.12 -1.65 -0.00 0.00 -0.26 0.00 0.00 60.65 58.86 2dm8 s ILE 34 Cb 0.08 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2dm8 s ILE 34 CO -0.06 0.00 0.37 1.33 0.24 0.00 0.00 174.94 176.82 2dm8 n VAL 35 N -0.43 0.00 -4.00 8.37 0.24 0.54 -4.56 118.33 118.49 2dm8 n VAL 35 Ca 0.01 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 2dm8 n VAL 35 Cb 0.63 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2dm8 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dm8 n GLY 36 N -0.49 -0.57 0.00 7.63 0.00 -1.26 -3.01 105.19 107.49 2dm8 n GLY 36 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.76 1.30 -0.02 0.00 -1.26 -3.92 105.19 102.05 2dm8 n GLY 37 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.24 1.61 5.02 -1.26 -4.26 118.16 119.51 2dm8 n LYS 38 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 2dm8 n LYS 38 Cb 0.00 -0.35 0.42 0.00 -0.02 0.00 0.00 35.03 35.08 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 0.00 0.00 -4.10 4.39 5.19 -1.96 -3.44 116.42 116.50 2dm8 h ASP 39 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2dm8 h ASP 39 Cb 0.67 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.29 2dm8 h ASP 39 CO 0.00 0.00 0.46 0.42 -3.12 0.00 0.00 179.24 177.00 2dm8 s THR 40 N -3.41 2.73 -1.00 0.35 -4.23 -1.26 -4.90 115.64 103.92 2dm8 s THR 40 Ca 0.05 0.45 0.14 0.00 -1.18 0.00 0.00 61.69 61.15 2dm8 s THR 40 Cb 0.07 -3.17 0.12 0.00 1.34 0.00 0.00 72.50 70.86 2dm8 s THR 40 CO 0.60 -0.10 1.45 -0.81 -0.54 0.00 0.00 174.62 175.22 2dm8 n PRO 41 N -1.59 0.00 -0.06 3.99 -0.04 -1.26 -2.45 135.00 133.60 2dm8 n PRO 41 Ca 0.13 0.26 -0.06 0.00 -0.04 0.00 0.00 63.50 63.79 2dm8 n PRO 41 Cb 0.50 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2dm8 n PRO 41 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dm8 n LEU 42 N -1.50 0.27 -2.43 1.53 -0.00 -1.26 -4.96 117.00 108.66 2dm8 n LEU 42 Ca 0.03 0.12 -0.04 0.00 -0.00 0.00 0.00 56.01 56.13 2dm8 n LEU 42 Cb 0.16 0.33 -0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2dm8 n LEU 42 CO 0.13 0.37 -0.05 -3.20 -0.00 0.00 0.00 177.39 174.65 2dm8 n ASN 43 N -2.76 -1.83 -3.77 1.45 2.85 -1.02 -4.88 115.26 105.31 2dm8 n ASN 43 Ca -0.24 0.40 -0.14 0.00 -0.11 0.00 0.00 54.58 54.49 2dm8 n ASN 43 Cb 1.03 -1.67 -0.15 0.00 1.24 0.00 0.00 39.78 40.22 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dm8 s ALA 44 N -2.15 -0.11 -0.42 5.20 0.00 -1.26 -4.74 121.76 118.29 2dm8 s ALA 44 Ca 0.00 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 2dm8 s ALA 44 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2dm8 s ALA 44 CO 0.00 -0.13 1.82 0.42 0.00 0.00 0.00 175.76 177.87 2dm8 s ILE 45 N 1.04 3.45 -0.03 0.00 -1.09 -1.26 -4.35 121.20 118.96 2dm8 s ILE 45 Ca -0.08 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 58.81 2dm8 s ILE 45 Cb -0.11 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 2dm8 s ILE 45 CO -0.04 -0.56 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.20 2dm8 s VAL 46 N 7.64 2.38 -0.55 2.92 1.01 -1.16 -0.03 120.40 132.60 2dm8 s VAL 46 Ca 0.76 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 2dm8 s VAL 46 Cb -0.19 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 2dm8 s VAL 46 CO 0.30 0.57 1.59 -0.63 0.00 0.00 0.00 175.10 176.93 2dm8 s ILE 47 N -0.66 3.61 -0.00 2.22 1.01 -1.12 -0.34 121.20 125.92 2dm8 s ILE 47 Ca 0.11 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 2dm8 s ILE 47 Cb -0.10 -4.20 -0.15 0.00 0.01 0.00 0.00 42.46 38.01 2dm8 s ILE 47 CO -0.00 -1.02 1.12 -0.74 0.00 0.00 0.00 174.94 174.29 2dm8 h HIS 48 N 12.39 -0.47 -3.75 3.97 -0.00 -1.75 0.56 115.15 126.11 2dm8 h HIS 48 Ca -0.28 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 59.98 2dm8 h HIS 48 Cb 1.12 0.16 -0.16 0.00 -0.00 0.00 0.00 27.41 28.53 2dm8 h HIS 48 CO 1.03 -0.14 -0.42 -2.00 -0.00 0.00 0.00 177.93 176.41 2dm8 s GLU 49 N -4.41 0.75 -0.40 5.26 2.12 -1.26 -4.67 118.70 116.09 2dm8 s GLU 49 Ca -0.13 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.38 2dm8 s GLU 49 Cb 0.02 0.30 0.12 0.00 0.26 0.00 0.00 34.13 34.83 2dm8 s GLU 49 CO 0.49 -0.22 0.19 0.08 -0.54 0.00 0.00 175.26 175.26 2dm8 s VAL 50 N -3.26 1.35 -0.47 3.70 1.01 -1.26 0.56 120.40 122.03 2dm8 s VAL 50 Ca 0.00 -2.28 -0.38 0.00 0.00 0.00 0.00 61.98 59.33 2dm8 s VAL 50 Cb 0.02 -1.96 -0.15 0.00 0.00 0.00 0.00 36.38 34.29 2dm8 s VAL 50 CO -0.08 -0.82 2.23 -1.22 0.00 0.00 0.00 175.10 175.21 2dm8 n TYR 51 N 3.89 1.33 0.28 5.22 4.01 -0.62 -4.73 117.16 126.55 2dm8 n TYR 51 Ca 0.06 0.46 0.14 0.00 -0.16 0.00 0.00 57.90 58.40 2dm8 n TYR 51 Cb 0.37 -2.43 0.66 0.00 -0.31 0.00 0.00 39.34 37.62 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 11.41 0.00 -1.60 -0.72 9.09 -1.96 -0.61 114.58 130.19 2dm8 h GLU 52 Ca -0.19 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.05 2dm8 h GLU 52 Cb 1.35 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.38 2dm8 h GLU 52 CO 1.09 0.00 0.22 -0.85 0.05 0.00 0.00 179.01 179.52 2dm8 n GLU 53 N -2.96 1.43 -3.94 1.06 0.28 -1.26 -4.57 120.64 110.67 2dm8 n GLU 53 Ca 0.01 -0.86 -0.08 0.00 -0.16 0.00 0.00 57.16 56.07 2dm8 n GLU 53 Cb 0.56 -1.34 -0.08 0.00 1.43 0.00 0.00 31.44 32.01 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 0.88 0.28 0.12 -1.84 0.00 -0.24 -4.86 107.32 101.66 2dm8 s GLY 54 Ca 0.17 -0.84 -0.32 0.00 0.00 0.00 0.00 44.72 43.73 2dm8 s GLY 54 CO 0.00 -0.96 1.57 0.00 0.00 0.00 0.00 173.10 173.71 2dm8 h ALA 55 N 2.82 -0.80 -0.70 3.20 0.00 -1.06 -1.77 119.26 120.94 2dm8 h ALA 55 Ca -0.34 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.68 2dm8 h ALA 55 Cb 1.19 0.84 -0.13 0.00 0.00 0.00 0.00 17.79 19.69 2dm8 h ALA 55 CO 0.58 -1.03 -0.06 0.00 0.00 0.00 0.00 179.25 178.74 2dm8 n ALA 56 N -2.93 0.29 0.19 0.00 0.00 -0.91 0.56 120.51 117.71 2dm8 n ALA 56 Ca -0.06 0.76 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 2dm8 n ALA 56 Cb 0.39 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 2dm8 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 h ALA 57 N 1.41 -0.49 -1.57 0.00 0.00 -1.54 -1.93 119.26 115.14 2dm8 h ALA 57 Ca 0.39 -0.18 0.50 0.00 0.00 0.00 0.00 54.91 55.63 2dm8 h ALA 57 Cb 0.74 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 2dm8 h ALA 57 CO -0.69 -0.64 1.06 0.00 0.00 0.00 0.00 179.25 178.98 2dm8 h ARG 58 N -0.76 0.01 0.00 0.00 3.08 0.58 0.11 114.38 117.40 2dm8 h ARG 58 Ca -0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2dm8 h ARG 58 Cb 0.51 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2dm8 h ARG 58 CO 0.08 0.01 -0.10 0.22 -1.07 0.00 0.00 179.97 179.12 2dm8 h ASP 59 N 0.01 0.00 0.00 7.04 3.58 -1.20 -3.49 116.42 122.36 2dm8 h ASP 59 Ca 0.89 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2dm8 h ASP 59 Cb 3.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 44.15 2dm8 h ASP 59 CO -0.31 0.76 0.00 0.61 -2.88 0.00 0.00 179.24 177.42 2dm8 n GLY 60 N 1.69 0.73 0.00 -0.78 0.00 0.38 -4.95 105.19 102.25 2dm8 n GLY 60 Ca -0.06 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.89 0.01 -4.07 1.61 5.12 -1.26 -4.82 116.66 111.36 2dm8 n ARG 61 Ca 0.00 -0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 2dm8 n ARG 61 Cb 0.16 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 29.80 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 -3.02 2.34 0.08 0.55 1.43 -1.26 -4.98 118.68 113.82 2dm8 s LEU 62 Ca 0.09 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 2dm8 s LEU 62 Cb 0.17 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2dm8 s LEU 62 CO 0.80 -0.08 0.03 0.26 0.23 0.00 0.00 176.35 177.60 2dm8 s TRP 63 N 1.31 3.09 -0.33 0.29 0.51 -1.26 -4.91 118.94 117.63 2dm8 s TRP 63 Ca 0.01 0.03 -0.27 0.00 -2.12 0.00 0.00 56.10 53.75 2dm8 s TRP 63 Cb -0.15 -1.59 -0.05 0.00 -0.81 0.00 0.00 33.47 30.87 2dm8 s TRP 63 CO -0.10 0.50 2.21 0.00 -0.51 0.00 0.00 176.95 179.04 2dm8 s ALA 64 N -1.32 2.40 0.00 0.98 0.00 -1.26 -2.17 121.76 120.39 2dm8 s ALA 64 Ca 0.27 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2dm8 s ALA 64 Cb -0.12 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2dm8 s ALA 64 CO 0.19 -3.30 0.00 0.41 0.00 0.00 0.00 175.76 173.06 2dm8 n GLY 65 N 5.79 1.01 3.32 0.00 0.00 0.19 -4.98 105.19 110.52 2dm8 n GLY 65 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2dm8 n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm8 n ASP 66 N 0.00 -2.70 -3.88 1.61 9.92 -0.92 -4.69 116.55 115.89 2dm8 n ASP 66 Ca 0.00 -0.39 -0.28 0.00 -0.53 0.00 0.00 54.79 53.58 2dm8 n ASP 66 Cb 0.00 -1.09 -0.16 0.00 -0.64 0.00 0.00 41.12 39.23 2dm8 n ASP 66 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2dm8 s GLN 67 N -4.31 1.38 0.06 -1.24 -0.21 -1.25 -2.81 119.66 111.28 2dm8 s GLN 67 Ca 0.64 -0.55 -0.18 0.00 0.02 0.00 0.00 55.36 55.28 2dm8 s GLN 67 Cb -0.18 -2.06 -0.06 0.00 1.00 0.00 0.00 33.01 31.70 2dm8 s GLN 67 CO 0.61 -0.46 0.54 0.42 -2.12 0.00 0.00 175.29 174.27 2dm8 s ILE 68 N 1.63 4.80 -0.05 1.08 1.01 0.95 -1.59 121.20 129.03 2dm8 s ILE 68 Ca -0.00 1.12 0.05 0.00 0.00 0.00 0.00 60.65 61.81 2dm8 s ILE 68 Cb -0.16 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 2dm8 s ILE 68 CO -0.08 0.54 0.02 0.18 0.00 0.00 0.00 174.94 175.60 2dm8 n LEU 69 N 1.68 0.06 -3.69 2.97 4.77 -0.70 -4.10 117.00 117.99 2dm8 n LEU 69 Ca -0.11 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 2dm8 n LEU 69 Cb 0.51 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2dm8 n LEU 69 CO 0.40 0.14 0.11 -0.70 -1.33 0.00 0.00 177.39 176.02 2dm8 s GLU 70 N -2.13 1.05 -0.15 3.23 2.12 -1.25 -2.28 118.70 119.29 2dm8 s GLU 70 Ca -0.03 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.44 2dm8 s GLU 70 Cb 0.02 0.45 0.06 0.00 0.26 0.00 0.00 34.13 34.91 2dm8 s GLU 70 CO 0.22 -0.40 0.35 0.54 -0.54 0.00 0.00 175.26 175.43 2dm8 s VAL 71 N -3.83 -0.09 -1.02 3.70 0.11 -0.95 -2.45 120.40 115.86 2dm8 s VAL 71 Ca 0.04 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2dm8 s VAL 71 Cb 0.02 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2dm8 s VAL 71 CO -0.11 0.05 0.00 -3.20 -3.33 0.00 0.00 175.10 168.51 2dm8 n ASN 72 N 4.39 -3.39 -0.28 3.54 4.05 0.60 -0.18 115.26 123.98 2dm8 n ASN 72 Ca -0.22 0.24 0.00 0.00 0.45 0.00 0.00 54.58 55.05 2dm8 n ASN 72 Cb 0.54 -3.00 0.00 0.00 1.23 0.00 0.00 39.78 38.55 2dm8 n ASN 72 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dm8 n GLY 73 N -0.59 0.73 2.74 8.20 0.00 -1.26 -5.05 105.19 109.96 2dm8 n GLY 73 Ca -0.13 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.56 0.56 -0.02 1.61 1.01 0.74 -5.11 120.40 116.64 2dm8 s VAL 74 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 61.98 61.05 2dm8 s VAL 74 Cb 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 36.38 35.19 2dm8 s VAL 74 CO 0.00 -0.21 1.78 -0.67 0.00 0.00 0.00 175.10 176.00 2dm8 n ASP 75 N 5.03 3.28 -0.05 3.32 2.03 -1.26 -2.25 116.55 126.66 2dm8 n ASP 75 Ca -0.09 1.01 -0.04 0.00 0.52 0.00 0.00 54.79 56.19 2dm8 n ASP 75 Cb 0.47 -1.38 -0.11 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 5.58 0.00 0.21 -2.67 4.77 -0.97 -4.13 117.00 119.79 2dm8 n LEU 76 Ca 0.21 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.31 2dm8 n LEU 76 Cb 0.29 0.26 0.40 0.00 -2.33 0.00 0.00 43.42 42.04 2dm8 n LEU 76 CO 0.70 0.26 1.10 0.08 -1.33 0.00 0.00 177.39 178.21 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 0.11 -1.82 0.32 114.38 116.22 2dm8 h ARG 77 Ca -0.29 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.53 2dm8 h ARG 77 Cb 1.58 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.61 2dm8 h ARG 77 CO 0.02 0.00 -2.01 -1.71 0.10 0.00 0.00 179.97 176.36 2dm8 n ASN 78 N -2.88 2.11 -3.88 0.08 5.15 -1.26 -4.87 115.26 109.71 2dm8 n ASN 78 Ca 0.04 -0.06 -0.29 0.00 -0.60 0.00 0.00 54.58 53.68 2dm8 n ASN 78 Cb 0.87 0.20 0.26 0.00 -0.53 0.00 0.00 39.78 40.57 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2dm8 n SER 79 N -2.82 -2.98 -3.59 1.20 7.64 0.11 -4.81 113.62 108.37 2dm8 n SER 79 Ca -0.28 -0.48 -0.12 0.00 1.01 0.00 0.00 58.87 58.99 2dm8 n SER 79 Cb 0.90 -1.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.05 2dm8 n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dm8 n SER 80 N -4.60 1.51 0.10 6.43 2.88 -1.26 -4.24 113.62 114.44 2dm8 n SER 80 Ca 0.07 -1.93 -0.04 0.00 -1.33 0.00 0.00 58.87 55.64 2dm8 n SER 80 Cb 0.56 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 2dm8 n SER 80 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2dm8 h HIS 81 N 0.29 -0.23 -0.77 0.66 2.76 -1.88 -0.85 115.15 115.13 2dm8 h HIS 81 Ca -0.17 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.18 2dm8 h HIS 81 Cb 0.69 0.08 -0.12 0.00 1.55 0.00 0.00 27.41 29.60 2dm8 h HIS 81 CO 0.00 -0.14 0.13 0.93 -1.30 0.00 0.00 177.93 177.54 2dm8 h GLU 82 N -0.24 0.19 -0.28 5.26 5.08 -1.97 0.17 114.58 122.79 2dm8 h GLU 82 Ca -0.02 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2dm8 h GLU 82 Cb 0.19 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2dm8 h GLU 82 CO 0.04 0.12 -0.05 0.93 -1.00 0.00 0.00 179.01 179.05 2dm8 h GLU 83 N 0.19 0.02 -0.95 2.33 5.08 -1.94 -1.66 114.58 117.65 2dm8 h GLU 83 Ca 0.44 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 2dm8 h GLU 83 Cb 0.80 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 2dm8 h GLU 83 CO -0.60 0.01 0.61 0.00 -1.00 0.00 0.00 179.01 178.04 2dm8 h ALA 84 N 1.27 1.30 -0.32 3.43 0.00 0.50 -0.54 119.26 124.90 2dm8 h ALA 84 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dm8 h ALA 84 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2dm8 h ALA 84 CO -0.27 0.42 0.14 0.82 0.00 0.00 0.00 179.25 180.36 2dm8 h ILE 85 N 1.13 0.96 -0.52 0.00 1.08 -0.39 -2.47 117.51 117.30 2dm8 h ILE 85 Ca 0.40 -0.10 -0.11 0.00 -0.39 0.00 0.00 64.86 64.66 2dm8 h ILE 85 Cb 0.12 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2dm8 h ILE 85 CO -0.16 0.05 -0.12 0.74 -0.69 0.00 0.00 178.15 177.98 2dm8 h THR 86 N 0.30 1.27 0.00 -0.27 2.02 -0.86 -2.42 112.91 112.95 2dm8 h THR 86 Ca 0.14 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2dm8 h THR 86 Cb 0.07 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2dm8 h THR 86 CO -0.11 0.44 0.01 0.00 0.37 0.00 0.00 175.52 176.23 2dm8 h ALA 87 N 0.99 1.01 0.00 6.16 0.00 -0.70 0.28 119.26 127.00 2dm8 h ALA 87 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2dm8 h ALA 87 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2dm8 h ALA 87 CO 0.05 -0.01 -1.54 1.28 0.00 0.00 0.00 179.25 179.03 2dm8 n LEU 88 N -2.81 0.75 0.03 0.00 4.77 -0.93 -3.95 117.00 114.87 2dm8 n LEU 88 Ca -0.02 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 2dm8 n LEU 88 Cb 0.07 0.11 0.24 0.00 -2.33 0.00 0.00 43.42 41.51 2dm8 n LEU 88 CO 0.16 0.18 0.44 0.54 -1.33 0.00 0.00 177.39 177.39 2dm8 n ARG 89 N -2.86 0.15 -0.40 3.23 1.74 -0.06 -3.61 116.66 114.86 2dm8 n ARG 89 Ca -0.12 0.05 0.09 0.00 -0.77 0.00 0.00 57.85 57.09 2dm8 n ARG 89 Cb 0.87 -1.60 0.27 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.81 2.77 -3.82 5.56 6.02 -0.32 -4.91 117.38 120.86 2dm8 n GLN 90 Ca 0.04 -2.21 -0.36 0.00 -0.01 0.00 0.00 57.00 54.46 2dm8 n GLN 90 Cb 0.39 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.48 5.41 0.00 5.09 -4.23 -1.24 -5.07 115.64 114.12 2dm8 s THR 91 Ca 0.40 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 2dm8 s THR 91 Cb 0.23 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2dm8 s THR 91 CO 0.24 0.51 0.00 -0.81 -0.54 0.00 0.00 174.62 174.02 2dm8 n PRO 92 N 1.60 -0.27 -0.01 3.99 -0.04 -1.26 -4.93 135.00 134.08 2dm8 n PRO 92 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 2dm8 n PRO 92 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.14 -5.36 0.54 4.20 -1.92 -3.34 115.11 109.09 2dm8 h GLN 93 Ca 0.00 0.01 -0.65 0.00 0.06 0.00 0.00 58.65 58.07 2dm8 h GLN 93 Cb 0.00 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 27.66 2dm8 h GLN 93 CO 0.00 -0.09 0.78 0.15 -0.67 0.00 0.00 178.83 179.00 2dm8 s LYS 94 N -6.16 3.37 -0.31 1.46 1.02 -1.26 -0.19 119.74 117.67 2dm8 s LYS 94 Ca -0.14 -1.24 -0.23 0.00 0.02 0.00 0.00 55.97 54.38 2dm8 s LYS 94 Cb 0.10 -4.64 0.00 0.00 -0.52 0.00 0.00 37.83 32.77 2dm8 s LYS 94 CO 0.68 -1.85 0.77 0.08 -0.92 0.00 0.00 175.35 174.11 2dm8 s VAL 95 N 3.62 4.80 -0.23 3.17 1.01 -0.46 -4.90 120.40 127.42 2dm8 s VAL 95 Ca 0.29 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 2dm8 s VAL 95 Cb -0.10 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2dm8 s VAL 95 CO -0.00 -0.26 0.08 -0.60 0.00 0.00 0.00 175.10 174.31 2dm8 s ARG 96 N 2.94 3.81 0.07 2.72 3.00 -1.26 -1.85 118.95 128.37 2dm8 s ARG 96 Ca 0.31 -0.41 0.02 0.00 -1.00 0.00 0.00 55.73 54.65 2dm8 s ARG 96 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 34.95 31.46 2dm8 s ARG 96 CO 0.13 -0.01 -0.07 -0.51 0.00 0.00 0.00 175.30 174.85 2dm8 s LEU 97 N 1.15 2.41 -0.30 -0.88 1.02 -0.43 -0.29 118.68 121.35 2dm8 s LEU 97 Ca 0.05 -0.82 -0.06 0.00 0.02 0.00 0.00 54.13 53.32 2dm8 s LEU 97 Cb -0.14 -0.09 0.02 0.00 0.02 0.00 0.00 46.19 46.00 2dm8 s LEU 97 CO 0.04 -0.37 0.07 -0.69 0.02 0.00 0.00 176.35 175.42 2dm8 s VAL 98 N -2.73 3.77 0.22 -1.59 1.01 -1.03 -0.25 120.40 119.81 2dm8 s VAL 98 Ca 0.03 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2dm8 s VAL 98 Cb -0.01 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2dm8 s VAL 98 CO -0.03 0.01 0.23 0.68 0.00 0.00 0.00 175.10 175.99 2dm8 s VAL 99 N 1.45 4.72 -0.09 2.92 -7.23 -0.70 -1.72 120.40 119.76 2dm8 s VAL 99 Ca 0.01 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 2dm8 s VAL 99 Cb -0.18 -3.52 0.05 0.00 0.56 0.00 0.00 36.38 33.29 2dm8 s VAL 99 CO 0.02 -0.28 0.12 -0.47 -0.31 0.00 0.00 175.10 174.18 2dm8 s TYR 100 N -1.99 -0.05 -0.68 2.82 5.04 -0.62 -2.78 117.35 119.07 2dm8 s TYR 100 Ca 0.33 0.34 0.05 0.00 -2.44 0.00 0.00 57.07 55.35 2dm8 s TYR 100 Cb -0.09 -0.40 0.18 0.00 0.35 0.00 0.00 41.96 42.01 2dm8 s TYR 100 CO 0.26 -0.30 0.54 -2.13 -1.34 0.00 0.00 175.55 172.58 2dm8 n ARG 101 N 5.31 1.89 -0.91 4.97 0.63 -1.26 -3.81 116.66 123.48 2dm8 n ARG 101 Ca -0.04 -4.47 -0.35 0.00 -0.92 0.00 0.00 57.85 52.07 2dm8 n ARG 101 Cb 0.50 -2.25 0.08 0.00 0.45 0.00 0.00 32.46 31.23 2dm8 n ARG 101 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2dm8 n ASP 102 N 1.78 -4.23 -2.30 6.15 2.03 -1.26 -2.52 116.55 116.20 2dm8 n ASP 102 Ca 0.22 0.25 -0.30 0.00 0.52 0.00 0.00 54.79 55.48 2dm8 n ASP 102 Cb 0.37 -0.96 0.04 0.00 -0.72 0.00 0.00 41.12 39.84 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 0.59 3.19 -0.09 -0.67 0.28 -1.26 -4.56 120.64 118.11 2dm8 n GLU 103 Ca 0.02 -3.86 -0.19 0.00 -0.16 0.00 0.00 57.16 52.97 2dm8 n GLU 103 Cb 0.55 -2.28 -0.06 0.00 1.43 0.00 0.00 31.44 31.08 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm8 n ALA 104 N -0.72 1.74 -3.56 -1.84 0.00 -1.26 -5.00 120.51 109.87 2dm8 n ALA 104 Ca 0.50 -0.74 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 2dm8 n ALA 104 Cb 0.73 0.24 -0.17 0.00 0.00 0.00 0.00 19.45 20.25 2dm8 n ALA 104 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dm8 s HIS 105 N -2.38 1.69 -0.14 0.00 3.76 -1.26 -5.02 115.29 111.94 2dm8 s HIS 105 Ca -0.26 -0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 53.84 2dm8 s HIS 105 Cb 0.09 -1.24 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 2dm8 s HIS 105 CO 0.33 -0.38 -0.23 0.66 -0.85 0.00 0.00 174.74 174.28 2dm8 n TYR 106 N 4.05 0.00 -2.64 1.40 4.02 -1.26 -4.97 117.16 117.75 2dm8 n TYR 106 Ca -0.20 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.46 2dm8 n TYR 106 Cb 0.51 -0.51 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 2dm8 n TYR 106 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2dm8 s ARG 107 N -2.42 2.66 0.62 -0.72 1.70 -1.26 -5.11 118.95 114.42 2dm8 s ARG 107 Ca -0.22 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 2dm8 s ARG 107 Cb 0.07 -2.44 0.07 0.00 -0.57 0.00 0.00 34.95 32.08 2dm8 s ARG 107 CO 0.30 -0.67 0.86 0.16 -1.08 0.00 0.00 175.30 174.87 2dm8 s ASP 108 N -4.38 4.89 -0.12 -2.89 1.47 -1.26 -5.02 116.67 109.36 2dm8 s ASP 108 Ca 0.55 -0.20 -0.29 0.00 1.18 0.00 0.00 52.55 53.79 2dm8 s ASP 108 Cb -0.10 -0.46 -0.04 0.00 -0.34 0.00 0.00 42.92 41.97 2dm8 s ASP 108 CO 0.40 -1.45 1.58 -1.61 0.68 0.00 0.00 175.17 174.77 2dm8 s GLU 109 N -4.91 4.07 0.03 2.11 0.41 -1.26 -4.98 118.70 114.17 2dm8 s GLU 109 Ca 0.61 1.95 -0.16 0.00 -0.41 0.00 0.00 54.97 56.97 2dm8 s GLU 109 Cb -0.08 -3.97 0.03 0.00 -1.78 0.00 0.00 34.13 28.33 2dm8 s GLU 109 CO 0.41 -0.96 0.35 -1.21 -0.49 0.00 0.00 175.26 173.36 2dm8 s GLU 110 N 4.14 0.81 0.52 1.61 0.41 -1.26 -5.14 118.70 119.79 2dm8 s GLU 110 Ca 0.70 -0.37 -0.20 0.00 -0.41 0.00 0.00 54.97 54.69 2dm8 s GLU 110 Cb -0.29 0.36 -0.09 0.00 -1.78 0.00 0.00 34.13 32.33 2dm8 s GLU 110 CO 0.27 -0.26 0.71 0.45 -0.49 0.00 0.00 175.26 175.94 2dm8 n SER 111 N 0.74 -0.21 -4.79 -0.19 2.88 -1.26 -4.93 113.62 105.86 2dm8 n SER 111 Ca -0.19 0.84 -0.36 0.00 -1.33 0.00 0.00 58.87 57.83 2dm8 n SER 111 Cb 0.59 -1.24 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 2dm8 n SER 111 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm8 s GLY 112 N -1.06 2.66 0.28 0.46 0.00 -1.26 -4.96 107.32 103.44 2dm8 s GLY 112 Ca 0.68 0.62 0.06 0.00 0.00 0.00 0.00 44.72 46.08 2dm8 s GLY 112 CO 0.54 1.01 1.66 -0.56 0.00 0.00 0.00 173.10 175.76 2dm8 h PRO 113 N 2.37 0.24 -5.65 2.90 0.13 -2.06 -3.45 132.00 126.48 2dm8 h PRO 113 Ca -0.48 -0.13 -0.74 0.00 -0.87 0.00 0.00 66.00 63.78 2dm8 h PRO 113 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2dm8 h PRO 113 CO 0.62 0.66 1.14 0.43 -0.23 0.00 0.00 178.00 180.62 2dm8 n SER 114 N -3.98 0.78 -4.68 1.44 7.64 -1.26 -4.75 113.62 108.81 2dm8 n SER 114 Ca -0.02 0.72 -0.45 0.00 1.01 0.00 0.00 58.87 60.13 2dm8 n SER 114 Cb 0.52 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 2dm8 n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dm8 n SER 115 N 6.49 3.66 0.00 6.43 2.88 -1.26 -5.24 113.62 126.57 2dm8 n SER 115 Ca 0.48 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 2dm8 n SER 115 Cb -0.04 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 2dm8 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42