#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 s SER 2 N 0.00 7.58 0.71 1.61 0.01 -1.26 -5.06 113.70 117.29 2dm2 s SER 2 Ca 0.00 1.88 -0.03 0.00 1.31 0.00 0.00 55.95 59.12 2dm2 s SER 2 Cb 0.00 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.75 2dm2 s SER 2 CO 0.00 0.15 0.99 -0.44 0.41 0.00 0.00 173.24 174.35 2dm2 s SER 3 N -1.21 4.44 0.00 2.44 0.01 -1.26 -5.07 113.70 113.05 2dm2 s SER 3 Ca 0.41 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2dm2 s SER 3 Cb -0.25 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.65 2dm2 s SER 3 CO 0.30 -1.79 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2dm2 n GLY 4 N -2.85 -0.96 3.69 3.44 0.00 -1.26 -5.12 105.19 102.13 2dm2 n GLY 4 Ca 0.13 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2dm2 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm2 n SER 5 N 0.00 3.94 -4.67 1.61 3.41 -1.26 -4.94 113.62 111.71 2dm2 n SER 5 Ca 0.00 1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 59.20 2dm2 n SER 5 Cb 0.00 -1.53 -0.04 0.00 -0.26 0.00 0.00 64.21 62.38 2dm2 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm2 s SER 6 N 2.49 6.99 -0.28 4.04 0.01 -1.26 -4.92 113.70 120.76 2dm2 s SER 6 Ca 0.81 1.22 0.20 0.00 1.31 0.00 0.00 55.95 59.49 2dm2 s SER 6 Cb -0.51 -2.47 0.48 0.00 0.21 0.00 0.00 66.02 63.74 2dm2 s SER 6 CO 0.37 -0.42 1.19 0.61 0.41 0.00 0.00 173.24 175.40 2dm2 n GLY 7 N 3.42 1.80 3.73 3.44 0.00 -1.26 -5.12 105.19 111.20 2dm2 n GLY 7 Ca 0.05 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 2dm2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm2 s ALA 8 N -2.89 2.13 0.83 4.61 0.00 -1.26 -3.93 121.76 121.25 2dm2 s ALA 8 Ca 0.23 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2dm2 s ALA 8 Cb 0.36 -3.40 0.09 0.00 0.00 0.00 0.00 23.12 20.17 2dm2 s ALA 8 CO -0.05 -1.83 1.09 -1.25 0.00 0.00 0.00 175.76 173.72 2dm2 s PRO 9 N -4.22 1.78 -0.21 0.00 0.04 -1.26 -4.43 135.00 126.72 2dm2 s PRO 9 Ca 0.69 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 2dm2 s PRO 9 Cb -0.24 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2dm2 s PRO 9 CO 0.48 -1.93 0.76 -0.59 0.04 0.00 0.00 177.00 175.76 2dm2 s PHE 10 N -2.92 -0.69 -0.69 0.56 -0.71 -1.18 -4.79 117.98 107.57 2dm2 s PHE 10 Ca 0.62 1.55 -0.26 0.00 -1.04 0.00 0.00 56.93 57.80 2dm2 s PHE 10 Cb -0.17 0.33 0.04 0.00 -1.21 0.00 0.00 43.02 42.00 2dm2 s PHE 10 CO 0.56 -0.42 1.20 -0.06 -1.34 0.00 0.00 175.22 175.16 2dm2 s PHE 11 N -0.13 2.43 0.20 3.49 0.08 -1.26 -0.62 117.98 122.16 2dm2 s PHE 11 Ca -0.03 -0.02 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 2dm2 s PHE 11 Cb -0.03 -4.53 0.13 0.00 -0.57 0.00 0.00 43.02 38.02 2dm2 s PHE 11 CO 0.03 -1.88 1.57 0.93 -0.10 0.00 0.00 175.22 175.77 2dm2 h GLU 12 N 9.83 0.73 -2.70 0.44 4.39 -1.49 -3.36 114.58 122.41 2dm2 h GLU 12 Ca -0.27 -0.35 -0.60 0.00 0.34 0.00 0.00 59.36 58.47 2dm2 h GLU 12 Cb 1.06 -0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.30 2dm2 h GLU 12 CO 1.24 0.97 -0.75 -0.12 -1.16 0.00 0.00 179.01 179.18 2dm2 n MET 13 N -4.06 1.24 -1.18 2.33 1.56 -1.25 -4.95 117.12 110.82 2dm2 n MET 13 Ca -0.01 -3.96 -0.36 0.00 -0.27 0.00 0.00 57.70 53.09 2dm2 n MET 13 Cb 0.50 -2.01 0.07 0.00 2.15 0.00 0.00 33.22 33.94 2dm2 n MET 13 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2dm2 n LYS 14 N 2.16 0.18 -1.84 2.12 5.02 -1.26 -3.90 118.16 120.64 2dm2 n LYS 14 Ca 0.24 0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 56.26 2dm2 n LYS 14 Cb 0.41 -1.72 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dm2 s LEU 15 N 0.61 3.67 0.34 -0.35 1.43 -1.26 -4.92 118.68 118.20 2dm2 s LEU 15 Ca 0.62 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 56.38 2dm2 s LEU 15 Cb -0.33 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.33 2dm2 s LEU 15 CO 0.62 -1.76 0.24 -0.75 0.23 0.00 0.00 176.35 174.92 2dm2 s LYS 16 N -3.24 2.60 -0.13 1.70 2.20 -1.26 -4.97 119.74 116.64 2dm2 s LYS 16 Ca 0.78 -1.39 -0.18 0.00 -0.36 0.00 0.00 55.97 54.83 2dm2 s LYS 16 Cb -0.36 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2dm2 s LYS 16 CO 0.39 0.09 0.47 -1.01 -0.36 0.00 0.00 175.35 174.94 2dm2 s HIS 17 N -2.35 3.49 -0.10 4.03 3.76 -1.26 -4.52 115.29 118.34 2dm2 s HIS 17 Ca 0.40 0.85 0.03 0.00 -0.15 0.00 0.00 55.06 56.19 2dm2 s HIS 17 Cb -0.05 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 31.10 2dm2 s HIS 17 CO 0.25 0.13 -0.21 0.71 -0.85 0.00 0.00 174.74 174.77 2dm2 s TYR 18 N 0.77 2.32 -0.30 1.40 2.02 -1.23 -5.08 117.35 117.26 2dm2 s TYR 18 Ca 0.25 -0.98 -0.02 0.00 -0.37 0.00 0.00 57.07 55.96 2dm2 s TYR 18 Cb -0.15 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2dm2 s TYR 18 CO 0.10 -0.42 -0.00 0.21 -1.57 0.00 0.00 175.55 173.86 2dm2 s LYS 19 N 0.50 2.42 0.31 -0.62 2.20 -1.26 -2.67 119.74 120.61 2dm2 s LYS 19 Ca -0.16 -1.28 0.06 0.00 -0.36 0.00 0.00 55.97 54.24 2dm2 s LYS 19 Cb -0.17 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2dm2 s LYS 19 CO 0.06 -0.62 0.23 0.44 -0.36 0.00 0.00 175.35 175.10 2dm2 n ILE 20 N 4.61 0.00 -3.60 5.43 -5.35 -0.87 -5.00 119.36 114.58 2dm2 n ILE 20 Ca -0.13 -2.16 -0.20 0.00 -0.27 0.00 0.00 62.75 59.99 2dm2 n ILE 20 Cb 0.43 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 2dm2 n ILE 20 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2dm2 s PHE 21 N -3.16 3.05 -0.09 4.28 0.40 -1.26 -3.15 117.98 118.05 2dm2 s PHE 21 Ca 0.33 -0.24 -0.29 0.00 -0.60 0.00 0.00 56.93 56.12 2dm2 s PHE 21 Cb 0.02 -1.91 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 2dm2 s PHE 21 CO 0.23 0.07 1.97 -2.00 0.70 0.00 0.00 175.22 176.19 2dm2 s GLU 22 N -4.11 3.77 0.00 0.44 2.12 -0.40 -1.60 118.70 118.92 2dm2 s GLU 22 Ca 0.43 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.00 2dm2 s GLU 22 Cb -0.08 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2dm2 s GLU 22 CO 0.29 -1.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 2dm2 n GLY 23 N 4.91 0.73 3.86 -1.50 0.00 -0.89 -4.53 105.19 107.77 2dm2 n GLY 23 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dm2 s MET 24 N -0.54 3.80 0.53 1.61 -1.94 -0.63 -4.58 119.30 117.55 2dm2 s MET 24 Ca 0.00 0.25 -0.20 0.00 -1.71 0.00 0.00 55.69 54.03 2dm2 s MET 24 Cb 0.00 -3.08 -0.06 0.00 2.01 0.00 0.00 34.83 33.69 2dm2 s MET 24 CO 0.00 0.62 1.14 -1.25 -0.01 0.00 0.00 175.02 175.51 2dm2 s PRO 25 N -1.58 3.44 0.04 2.03 0.04 -1.26 -4.03 135.00 133.69 2dm2 s PRO 25 Ca 0.29 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 2dm2 s PRO 25 Cb -0.15 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2dm2 s PRO 25 CO 0.16 -0.78 -0.03 0.54 0.04 0.00 0.00 177.00 176.93 2dm2 s VAL 26 N -1.72 0.18 -0.01 -0.36 0.11 -1.00 -5.01 120.40 112.59 2dm2 s VAL 26 Ca 0.71 -1.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 2dm2 s VAL 26 Cb -0.25 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 2dm2 s VAL 26 CO 0.28 -0.81 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.31 2dm2 s THR 27 N -3.03 0.41 -0.23 5.04 2.01 -1.26 -1.86 115.64 116.72 2dm2 s THR 27 Ca -0.01 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 2dm2 s THR 27 Cb 0.01 -0.37 0.07 0.00 0.01 0.00 0.00 72.50 72.22 2dm2 s THR 27 CO -0.07 0.13 0.04 -0.36 -0.69 0.00 0.00 174.62 173.68 2dm2 s PHE 28 N 0.11 1.37 0.01 4.92 0.08 0.38 -4.98 117.98 119.87 2dm2 s PHE 28 Ca -0.01 -1.19 0.04 0.00 0.12 0.00 0.00 56.93 55.88 2dm2 s PHE 28 Cb -0.05 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 2dm2 s PHE 28 CO -0.00 -0.70 -0.07 0.99 -0.10 0.00 0.00 175.22 175.34 2dm2 s THR 29 N 1.74 3.62 -0.24 0.64 2.01 -1.26 0.03 115.64 122.18 2dm2 s THR 29 Ca 0.01 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 2dm2 s THR 29 Cb -0.17 -2.59 0.07 0.00 0.01 0.00 0.00 72.50 69.82 2dm2 s THR 29 CO -0.12 0.37 0.59 0.00 -0.69 0.00 0.00 174.62 174.76 2dm2 s ARG 31 N 1.53 2.98 0.06 0.00 3.52 -1.25 -2.56 118.95 123.23 2dm2 s ARG 31 Ca -0.10 -1.26 -0.23 0.00 -0.13 0.00 0.00 55.73 54.01 2dm2 s ARG 31 Cb -0.06 -4.10 -0.06 0.00 -1.56 0.00 0.00 34.95 29.17 2dm2 s ARG 31 CO -0.17 -0.98 0.70 0.08 -0.81 0.00 0.00 175.30 174.13 2dm2 s VAL 32 N 1.69 4.71 0.44 7.11 1.01 -1.25 -1.13 120.40 132.98 2dm2 s VAL 32 Ca 0.05 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.61 2dm2 s VAL 32 Cb -0.23 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2dm2 s VAL 32 CO 0.08 0.43 0.41 0.00 0.00 0.00 0.00 175.10 176.02 2dm2 s ALA 33 N -0.40 4.16 0.00 5.51 0.00 0.21 -4.80 121.76 126.44 2dm2 s ALA 33 Ca 0.35 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2dm2 s ALA 33 Cb -0.20 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2dm2 s ALA 33 CO 0.22 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2dm2 n GLY 34 N -1.63 3.07 3.11 0.00 0.00 -1.26 -3.09 105.19 105.40 2dm2 n GLY 34 Ca 0.04 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 2dm2 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dm2 s ASN 35 N 0.00 -0.12 1.14 1.61 3.84 -1.25 -4.25 114.94 115.90 2dm2 s ASN 35 Ca 0.00 0.15 -0.17 0.00 0.21 0.00 0.00 52.86 53.05 2dm2 s ASN 35 Cb 0.00 0.33 0.26 0.00 -0.55 0.00 0.00 41.25 41.29 2dm2 s ASN 35 CO 0.00 -0.22 1.10 -2.16 -2.79 0.00 0.00 177.10 173.03 2dm2 s PRO 36 N -0.60 -0.72 -0.77 0.43 0.04 -1.26 -4.84 135.00 127.27 2dm2 s PRO 36 Ca -0.07 0.11 -0.34 0.00 0.04 0.00 0.00 61.00 60.74 2dm2 s PRO 36 Cb -0.04 -1.64 -0.19 0.00 0.04 0.00 0.00 34.50 32.67 2dm2 s PRO 36 CO 0.01 -3.42 2.49 1.17 0.04 0.00 0.00 177.00 177.30 2dm2 n LYS 37 N -4.58 0.20 -1.81 4.56 3.00 -1.26 -4.87 118.16 113.39 2dm2 n LYS 37 Ca 0.10 0.02 -0.33 0.00 -0.00 0.00 0.00 58.31 58.11 2dm2 n LYS 37 Cb 0.59 -1.78 0.04 0.00 0.00 0.00 0.00 35.03 33.88 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dm2 s PRO 38 N 7.96 2.86 0.14 1.64 0.04 -1.26 -4.99 135.00 141.40 2dm2 s PRO 38 Ca 1.26 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 2dm2 s PRO 38 Cb -1.18 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 2dm2 s PRO 38 CO 0.51 -1.20 1.13 0.15 0.04 0.00 0.00 177.00 177.62 2dm2 s LYS 39 N -4.01 4.54 -0.01 4.56 1.02 -0.77 -4.75 119.74 120.33 2dm2 s LYS 39 Ca 0.67 1.73 -0.01 0.00 0.02 0.00 0.00 55.97 58.39 2dm2 s LYS 39 Cb -0.21 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2dm2 s LYS 39 CO 0.40 -0.03 0.08 0.42 -0.92 0.00 0.00 175.35 175.30 2dm2 s ILE 40 N 0.15 4.74 -0.08 2.17 -1.09 -1.26 -0.59 121.20 125.24 2dm2 s ILE 40 Ca 0.52 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.51 2dm2 s ILE 40 Cb -0.29 -3.16 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 2dm2 s ILE 40 CO 0.33 0.36 0.16 -0.31 -1.23 0.00 0.00 174.94 174.25 2dm2 s TYR 41 N -1.19 -0.18 -0.18 3.97 2.02 -1.19 -5.03 117.35 115.57 2dm2 s TYR 41 Ca 0.23 0.61 -0.12 0.00 -0.37 0.00 0.00 57.07 57.42 2dm2 s TYR 41 Cb -0.12 -0.25 -0.05 0.00 -0.40 0.00 0.00 41.96 41.14 2dm2 s TYR 41 CO 0.14 -0.27 0.21 -1.58 -1.57 0.00 0.00 175.55 172.48 2dm2 s TRP 42 N 2.25 3.44 0.13 2.71 0.52 -1.26 -2.68 118.94 124.06 2dm2 s TRP 42 Ca 0.03 0.46 0.09 0.00 0.02 0.00 0.00 56.10 56.70 2dm2 s TRP 42 Cb -0.12 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2dm2 s TRP 42 CO -0.06 0.27 -0.17 -0.06 0.02 0.00 0.00 176.95 176.96 2dm2 s PHE 43 N 0.38 2.55 -0.36 -1.98 0.08 0.15 -3.49 117.98 115.31 2dm2 s PHE 43 Ca 0.12 -0.26 -0.00 0.00 0.12 0.00 0.00 56.93 56.92 2dm2 s PHE 43 Cb -0.12 -1.32 0.12 0.00 -0.57 0.00 0.00 43.02 41.12 2dm2 s PHE 43 CO 0.01 0.42 0.17 0.21 -0.10 0.00 0.00 175.22 175.93 2dm2 s LYS 44 N -2.30 0.80 -1.78 0.44 2.20 0.16 -2.38 119.74 116.89 2dm2 s LYS 44 Ca 0.19 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 2dm2 s LYS 44 Cb -0.10 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2dm2 s LYS 44 CO 0.11 -1.09 0.00 -3.47 -0.36 0.00 0.00 175.35 170.54 2dm2 n ASP 45 N 4.32 -5.69 0.00 1.43 -0.08 -1.18 -1.32 116.55 114.03 2dm2 n ASP 45 Ca 0.04 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 2dm2 n ASP 45 Cb 0.39 -4.75 0.00 0.00 2.34 0.00 0.00 41.12 39.09 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm2 n GLY 46 N -0.95 0.84 3.23 0.27 0.00 -1.26 -5.07 105.19 102.25 2dm2 n GLY 46 Ca -0.23 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 2dm2 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s LYS 47 N -0.67 2.42 0.72 1.61 -0.14 -0.43 -5.13 119.74 118.11 2dm2 s LYS 47 Ca 0.00 -0.82 -0.13 0.00 -1.36 0.00 0.00 55.97 53.66 2dm2 s LYS 47 Cb 0.00 -2.02 0.03 0.00 -1.68 0.00 0.00 37.83 34.16 2dm2 s LYS 47 CO 0.00 0.32 1.11 -0.65 -0.76 0.00 0.00 175.35 175.36 2dm2 s GLN 48 N -0.04 2.48 -0.10 1.68 1.11 -1.26 0.39 119.66 123.92 2dm2 s GLN 48 Ca -0.06 1.31 0.02 0.00 0.01 0.00 0.00 55.36 56.65 2dm2 s GLN 48 Cb -0.14 -1.92 0.01 0.00 -1.01 0.00 0.00 33.01 29.96 2dm2 s GLN 48 CO 0.04 -1.49 -0.18 0.42 0.01 0.00 0.00 175.29 174.10 2dm2 s ILE 49 N -2.58 1.63 0.30 1.08 1.01 -1.23 -4.82 121.20 116.59 2dm2 s ILE 49 Ca 0.65 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 2dm2 s ILE 49 Cb -0.19 -1.45 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 2dm2 s ILE 49 CO 0.48 0.46 1.12 -0.55 0.00 0.00 0.00 174.94 176.46 2dm2 s SER 50 N 0.74 7.13 0.37 3.58 0.15 -1.26 -4.90 113.70 119.52 2dm2 s SER 50 Ca -0.11 2.29 0.16 0.00 0.70 0.00 0.00 55.95 58.99 2dm2 s SER 50 Cb -0.16 -2.62 0.72 0.00 -1.71 0.00 0.00 66.02 62.25 2dm2 s SER 50 CO 0.02 -0.24 1.78 1.55 1.20 0.00 0.00 173.24 177.55 2dm2 h PRO 51 N 3.58 0.00 -0.28 5.44 0.13 -2.00 -2.54 132.00 136.33 2dm2 h PRO 51 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2dm2 h PRO 51 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dm2 h PRO 51 CO 0.66 0.39 0.00 1.63 -0.23 0.00 0.00 178.00 180.45 2dm2 n LYS 52 N -3.79 1.71 -1.91 0.86 4.76 -1.26 -4.65 118.16 113.88 2dm2 n LYS 52 Ca -0.01 -1.10 -0.33 0.00 -2.87 0.00 0.00 58.31 53.99 2dm2 n LYS 52 Cb 0.46 -1.28 -0.04 0.00 -1.84 0.00 0.00 35.03 32.33 2dm2 n LYS 52 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dm2 s SER 53 N -1.14 4.97 0.46 4.39 0.15 -0.96 -4.80 113.70 116.76 2dm2 s SER 53 Ca 0.24 0.21 0.34 0.00 0.70 0.00 0.00 55.95 57.44 2dm2 s SER 53 Cb 0.13 -2.53 1.50 0.00 -1.71 0.00 0.00 66.02 63.40 2dm2 s SER 53 CO 0.17 -2.68 1.60 0.44 1.20 0.00 0.00 173.24 173.97 2dm2 h ASP 54 N 14.79 0.19 0.52 5.45 3.32 -1.90 0.67 116.42 139.46 2dm2 h ASP 54 Ca -0.15 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2dm2 h ASP 54 Cb 1.13 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2dm2 h ASP 54 CO 1.19 -0.19 -0.41 -0.74 -1.72 0.00 0.00 179.24 177.37 2dm2 h HIS 55 N 0.04 -1.11 -3.44 4.55 2.76 -1.96 -3.41 115.15 112.58 2dm2 h HIS 55 Ca 0.86 -0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 58.43 2dm2 h HIS 55 Cb 2.85 0.42 -0.11 0.00 1.55 0.00 0.00 27.41 32.11 2dm2 h HIS 55 CO -0.00 -0.57 -0.23 0.71 -1.30 0.00 0.00 177.93 176.54 2dm2 s TYR 56 N -5.33 3.40 -0.59 5.26 2.02 0.23 -4.43 117.35 117.91 2dm2 s TYR 56 Ca -0.15 0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 57.04 2dm2 s TYR 56 Cb 0.03 -2.49 0.15 0.00 -0.40 0.00 0.00 41.96 39.25 2dm2 s TYR 56 CO 0.48 0.05 0.52 0.99 -1.57 0.00 0.00 175.55 176.02 2dm2 s THR 57 N 1.09 4.98 -0.44 -0.71 2.01 -0.37 -4.45 115.64 117.75 2dm2 s THR 57 Ca 0.19 -1.84 -0.22 0.00 0.31 0.00 0.00 61.69 60.13 2dm2 s THR 57 Cb -0.14 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2dm2 s THR 57 CO 0.07 -0.88 0.73 -0.63 -0.69 0.00 0.00 174.62 173.23 2dm2 s ILE 58 N 1.17 4.71 -0.26 1.82 1.01 -1.26 -2.25 121.20 126.14 2dm2 s ILE 58 Ca 0.07 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.87 2dm2 s ILE 58 Cb -0.25 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2dm2 s ILE 58 CO -0.01 -0.67 0.51 -1.10 0.00 0.00 0.00 174.94 173.67 2dm2 s GLN 59 N 3.12 4.07 0.03 2.79 -0.21 -1.02 -4.97 119.66 123.47 2dm2 s GLN 59 Ca 0.27 0.32 -0.13 0.00 0.02 0.00 0.00 55.36 55.84 2dm2 s GLN 59 Cb -0.13 -3.65 -0.06 0.00 1.00 0.00 0.00 33.01 30.18 2dm2 s GLN 59 CO 0.21 -0.34 0.40 1.03 -2.12 0.00 0.00 175.29 174.47 2dm2 s ARG 60 N 2.28 3.85 0.45 2.91 0.52 -1.26 -3.28 118.95 124.43 2dm2 s ARG 60 Ca 0.21 0.32 0.07 0.00 -0.52 0.00 0.00 55.73 55.81 2dm2 s ARG 60 Cb -0.16 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2dm2 s ARG 60 CO 0.09 0.64 0.27 -0.51 0.02 0.00 0.00 175.30 175.81 2dm2 s ASP 61 N -1.32 4.59 -0.08 0.23 1.01 -1.08 -5.04 116.67 114.99 2dm2 s ASP 61 Ca 0.27 -1.07 0.09 0.00 0.71 0.00 0.00 52.55 52.55 2dm2 s ASP 61 Cb -0.16 -0.25 -0.24 0.00 1.01 0.00 0.00 42.92 43.29 2dm2 s ASP 61 CO 0.15 -0.71 0.54 0.18 0.21 0.00 0.00 175.17 175.54 2dm2 n LEU 62 N -1.43 1.20 0.04 1.23 7.99 -1.26 -4.12 117.00 120.65 2dm2 n LEU 62 Ca -0.01 0.33 -0.04 0.00 -0.01 0.00 0.00 56.01 56.27 2dm2 n LEU 62 Cb 0.64 -0.08 0.17 0.00 -0.11 0.00 0.00 43.42 44.04 2dm2 n LEU 62 CO 0.43 0.50 0.63 -2.24 -1.51 0.00 0.00 177.39 175.20 2dm2 h ASP 63 N 0.01 0.42 0.00 -1.43 3.04 -2.03 -3.47 116.42 112.97 2dm2 h ASP 63 Ca -0.34 -0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 2dm2 h ASP 63 Cb 2.04 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 40.21 2dm2 h ASP 63 CO 0.07 0.78 0.00 0.61 -2.04 0.00 0.00 179.24 178.66 2dm2 n GLY 64 N -0.12 1.27 3.52 7.15 0.00 -1.26 -5.08 105.19 110.67 2dm2 n GLY 64 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2dm2 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm2 s THR 65 N -1.65 3.29 0.18 2.61 2.01 -1.26 -3.76 115.64 117.06 2dm2 s THR 65 Ca 0.00 -0.72 0.10 0.00 0.31 0.00 0.00 61.69 61.38 2dm2 s THR 65 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2dm2 s THR 65 CO 0.00 0.53 -0.18 0.00 -0.69 0.00 0.00 174.62 174.28 2dm2 s SER 67 N -2.65 -0.26 -0.14 0.00 1.04 -1.21 -2.16 113.70 108.33 2dm2 s SER 67 Ca 0.22 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.91 2dm2 s SER 67 Cb -0.09 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2dm2 s SER 67 CO 0.12 -0.39 -0.11 -0.22 0.98 0.00 0.00 173.24 173.62 2dm2 s LEU 68 N -0.99 1.47 0.00 2.42 2.96 0.10 -2.43 118.68 122.22 2dm2 s LEU 68 Ca -0.10 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2dm2 s LEU 68 Cb -0.04 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 2dm2 s LEU 68 CO 0.04 -0.10 -0.18 -2.28 -1.32 0.00 0.00 176.35 172.51 2dm2 s HIS 69 N 1.59 2.58 -0.29 5.38 5.65 -0.95 -0.47 115.29 128.77 2dm2 s HIS 69 Ca 0.05 -0.25 -0.02 0.00 0.25 0.00 0.00 55.06 55.09 2dm2 s HIS 69 Cb -0.13 -1.52 0.10 0.00 -1.18 0.00 0.00 32.58 29.85 2dm2 s HIS 69 CO -0.09 0.19 0.10 0.99 -0.65 0.00 0.00 174.74 175.28 2dm2 s THR 70 N -0.82 0.60 0.46 0.89 2.01 -0.78 -1.24 115.64 116.77 2dm2 s THR 70 Ca 0.13 -1.16 0.11 0.00 0.31 0.00 0.00 61.69 61.09 2dm2 s THR 70 Cb -0.10 -1.43 0.25 0.00 0.01 0.00 0.00 72.50 71.22 2dm2 s THR 70 CO 0.03 -0.65 2.08 0.00 -0.69 0.00 0.00 174.62 175.39 2dm2 h THR 71 N 6.47 1.07 -3.34 -0.82 1.03 -1.86 -2.64 112.91 112.82 2dm2 h THR 71 Ca -0.15 -0.19 -0.36 0.00 -0.01 0.00 0.00 66.41 65.69 2dm2 h THR 71 Cb 1.02 0.83 -0.38 0.00 -1.07 0.00 0.00 68.15 68.55 2dm2 h THR 71 CO 0.45 0.08 -0.74 0.00 -0.01 0.00 0.00 175.52 175.30 2dm2 s ALA 72 N -5.19 0.24 -0.04 0.00 0.00 -1.26 -4.13 121.76 111.38 2dm2 s ALA 72 Ca -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2dm2 s ALA 72 Cb 0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2dm2 s ALA 72 CO 0.70 -0.43 0.04 -1.12 0.00 0.00 0.00 175.76 174.96 2dm2 s SER 73 N 1.98 5.45 0.08 0.00 0.01 -1.26 -4.99 113.70 114.97 2dm2 s SER 73 Ca 0.03 0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.51 2dm2 s SER 73 Cb -0.12 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 2dm2 s SER 73 CO -0.03 0.32 -0.20 0.42 0.41 0.00 0.00 173.24 174.17 2dm2 s THR 74 N -1.04 2.71 0.26 1.44 -4.23 -1.26 -2.10 115.64 111.42 2dm2 s THR 74 Ca 0.18 -1.37 0.10 0.00 -1.18 0.00 0.00 61.69 59.41 2dm2 s THR 74 Cb -0.12 -2.18 0.29 0.00 1.34 0.00 0.00 72.50 71.83 2dm2 s THR 74 CO 0.08 0.23 1.19 0.18 -0.54 0.00 0.00 174.62 175.76 2dm2 n LEU 75 N 1.24 0.11 -0.12 4.79 4.77 -1.26 0.22 117.00 126.74 2dm2 n LEU 75 Ca -0.16 1.26 -0.06 0.00 -0.03 0.00 0.00 56.01 57.02 2dm2 n LEU 75 Cb 0.52 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2dm2 n LEU 75 CO 0.27 -1.36 0.99 -0.78 -1.33 0.00 0.00 177.39 175.18 2dm2 h ASP 76 N 0.00 0.31 -0.98 -1.43 1.82 -1.99 -2.49 116.42 111.65 2dm2 h ASP 76 Ca 0.56 0.02 0.30 0.00 -0.39 0.00 0.00 57.03 57.52 2dm2 h ASP 76 Cb 1.37 -0.04 -0.18 0.00 0.68 0.00 0.00 39.33 41.15 2dm2 h ASP 76 CO -0.64 0.22 0.12 -0.90 -1.61 0.00 0.00 179.24 176.44 2dm2 n ASP 77 N -4.91 -0.02 -4.53 2.28 5.68 0.60 -4.50 116.55 111.15 2dm2 n ASP 77 Ca 0.02 1.66 -0.47 0.00 -0.50 0.00 0.00 54.79 55.50 2dm2 n ASP 77 Cb 0.09 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.40 2dm2 n ASP 77 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2dm2 n ASP 78 N -5.42 0.47 0.00 -1.12 5.75 -0.94 -4.74 116.55 110.55 2dm2 n ASP 78 Ca 0.26 1.16 0.00 0.00 -0.01 0.00 0.00 54.79 56.20 2dm2 n ASP 78 Cb 0.86 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 2dm2 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dm2 n GLY 79 N 1.61 -0.51 2.76 6.12 0.00 -1.25 -5.04 105.19 108.88 2dm2 n GLY 79 Ca 0.13 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2dm2 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm2 s ASN 80 N -4.00 1.33 0.20 1.61 0.01 -1.26 -3.85 114.94 108.98 2dm2 s ASN 80 Ca 0.00 -0.17 -0.19 0.00 -0.71 0.00 0.00 52.86 51.79 2dm2 s ASN 80 Cb 0.00 0.37 -0.08 0.00 0.41 0.00 0.00 41.25 41.95 2dm2 s ASN 80 CO 0.00 -0.32 0.69 -0.31 -1.51 0.00 0.00 177.10 175.65 2dm2 s TYR 81 N 2.32 3.66 -0.01 2.20 1.51 -1.20 -3.10 117.35 122.72 2dm2 s TYR 81 Ca 0.06 1.34 0.01 0.00 -1.01 0.00 0.00 57.07 57.47 2dm2 s TYR 81 Cb -0.15 -2.58 0.00 0.00 -0.11 0.00 0.00 41.96 39.12 2dm2 s TYR 81 CO -0.11 0.37 -0.05 0.99 -1.11 0.00 0.00 175.55 175.63 2dm2 s THR 82 N -1.49 0.44 -0.13 -0.71 2.01 -1.00 -0.14 115.64 114.62 2dm2 s THR 82 Ca 0.41 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2dm2 s THR 82 Cb -0.17 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 71.97 2dm2 s THR 82 CO 0.21 0.15 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.75 2dm2 s ILE 83 N 0.20 0.76 -0.15 1.82 2.07 -1.13 0.30 121.20 125.06 2dm2 s ILE 83 Ca -0.02 -0.31 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 2dm2 s ILE 83 Cb -0.06 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 2dm2 s ILE 83 CO -0.00 0.16 -0.10 -0.32 -1.91 0.00 0.00 174.94 172.77 2dm2 s MET 84 N 1.79 3.42 -0.01 3.50 -2.45 -1.09 -1.82 119.30 122.64 2dm2 s MET 84 Ca 0.03 -0.65 -0.09 0.00 -1.25 0.00 0.00 55.69 53.72 2dm2 s MET 84 Cb -0.14 -2.74 -0.05 0.00 1.25 0.00 0.00 34.83 33.15 2dm2 s MET 84 CO -0.07 0.14 0.29 0.00 1.05 0.00 0.00 175.02 176.43 2dm2 s ALA 85 N 0.57 3.80 -0.18 4.11 0.00 0.19 -3.14 121.76 127.11 2dm2 s ALA 85 Ca -0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 2dm2 s ALA 85 Cb -0.15 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 2dm2 s ALA 85 CO 0.03 0.59 0.03 0.00 0.00 0.00 0.00 175.76 176.41 2dm2 s ALA 86 N -1.19 3.24 -0.05 0.00 0.00 0.25 -2.78 121.76 121.22 2dm2 s ALA 86 Ca 0.24 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 2dm2 s ALA 86 Cb -0.14 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2dm2 s ALA 86 CO 0.13 0.13 0.22 1.21 0.00 0.00 0.00 175.76 177.45 2dm2 s ASN 87 N 0.47 -0.17 0.00 0.00 2.47 -1.20 -1.84 114.94 114.67 2dm2 s ASN 87 Ca 0.01 0.24 0.06 0.00 0.42 0.00 0.00 52.86 53.59 2dm2 s ASN 87 Cb -0.13 0.38 0.36 0.00 -1.45 0.00 0.00 41.25 40.41 2dm2 s ASN 87 CO 0.01 -0.21 0.82 -0.81 -3.72 0.00 0.00 177.10 173.19 2dm2 n PRO 88 N 2.33 0.49 0.00 0.43 -0.04 -1.26 -1.83 135.00 135.11 2dm2 n PRO 88 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2dm2 n PRO 88 Cb 0.57 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2dm2 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dm2 n GLN 89 N -0.69 0.99 0.00 0.54 6.02 -1.26 -5.10 117.38 117.88 2dm2 n GLN 89 Ca 0.04 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2dm2 n GLN 89 Cb 0.02 -0.61 0.00 0.00 1.02 0.00 0.00 30.24 30.67 2dm2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dm2 n GLY 90 N 0.19 4.19 3.34 1.08 0.00 -0.76 -4.31 105.19 108.92 2dm2 n GLY 90 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2dm2 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm2 s ARG 91 N -2.88 2.14 0.35 1.61 0.52 -1.26 -3.22 118.95 116.21 2dm2 s ARG 91 Ca 0.00 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.36 2dm2 s ARG 91 Cb 0.00 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.31 2dm2 s ARG 91 CO 0.00 0.56 -0.02 0.96 0.02 0.00 0.00 175.30 176.83 2dm2 s ILE 92 N -0.65 1.83 0.10 1.52 -4.36 -1.12 -4.96 121.20 113.57 2dm2 s ILE 92 Ca 0.10 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.34 2dm2 s ILE 92 Cb -0.10 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.83 2dm2 s ILE 92 CO -0.00 -0.10 0.20 -0.94 0.24 0.00 0.00 174.94 174.33 2dm2 s SER 93 N -3.59 0.12 0.25 4.36 1.04 -1.26 -0.63 113.70 113.98 2dm2 s SER 93 Ca 0.34 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2dm2 s SER 93 Cb 0.07 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2dm2 s SER 93 CO 0.16 -0.76 0.29 0.00 0.98 0.00 0.00 173.24 173.91 2dm2 s THR 95 N -3.90 0.18 0.28 0.00 2.01 -1.26 -2.84 115.64 110.11 2dm2 s THR 95 Ca 0.33 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2dm2 s THR 95 Cb 0.03 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 2dm2 s THR 95 CO 0.14 -0.48 0.07 -0.83 -0.69 0.00 0.00 174.62 172.83 2dm2 s GLY 96 N -1.47 1.87 0.01 4.40 0.00 0.80 -4.65 107.32 108.28 2dm2 s GLY 96 Ca -0.15 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.64 2dm2 s GLY 96 CO -0.01 -1.70 -0.04 -1.60 0.00 0.00 0.00 173.10 169.75 2dm2 s ARG 97 N -3.96 0.33 -0.21 2.90 6.06 -1.26 -3.24 118.95 119.56 2dm2 s ARG 97 Ca 0.36 -0.33 -0.04 0.00 -2.50 0.00 0.00 55.73 53.22 2dm2 s ARG 97 Cb 0.08 -0.22 0.07 0.00 0.06 0.00 0.00 34.95 34.95 2dm2 s ARG 97 CO 0.14 0.05 0.10 -0.51 -2.50 0.00 0.00 175.30 172.58 2dm2 s LEU 98 N -0.59 0.48 -0.68 -0.88 1.43 -1.25 -3.57 118.68 113.61 2dm2 s LEU 98 Ca -0.03 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 51.97 2dm2 s LEU 98 Cb -0.04 -0.30 0.08 0.00 0.03 0.00 0.00 46.19 45.95 2dm2 s LEU 98 CO -0.00 -0.38 0.97 -0.04 0.23 0.00 0.00 176.35 177.13 2dm2 s MET 99 N 2.10 3.15 -0.22 1.70 -1.94 -1.09 -3.97 119.30 119.03 2dm2 s MET 99 Ca 0.04 -0.92 -0.08 0.00 -1.71 0.00 0.00 55.69 53.03 2dm2 s MET 99 Cb -0.16 -4.29 -0.04 0.00 2.01 0.00 0.00 34.83 32.35 2dm2 s MET 99 CO -0.19 -1.81 0.07 0.08 -0.01 0.00 0.00 175.02 173.16 2dm2 s VAL 100 N 3.93 4.58 -0.28 -6.03 1.01 -1.25 -2.05 120.40 120.31 2dm2 s VAL 100 Ca 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2dm2 s VAL 100 Cb -0.16 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2dm2 s VAL 100 CO 0.08 0.39 0.06 -1.10 0.00 0.00 0.00 175.10 174.53 2dm2 s GLN 101 N 1.04 3.11 -0.17 2.72 1.11 -1.19 -4.83 119.66 121.46 2dm2 s GLN 101 Ca 0.04 -0.84 -0.40 0.00 0.01 0.00 0.00 55.36 54.18 2dm2 s GLN 101 Cb -0.14 -3.31 -0.17 0.00 -1.01 0.00 0.00 33.01 28.38 2dm2 s GLN 101 CO 0.03 -0.41 1.57 0.00 0.01 0.00 0.00 175.29 176.48 2dm2 n ALA 102 N 4.84 -0.75 -3.78 6.09 0.00 -1.26 -1.28 120.51 124.38 2dm2 n ALA 102 Ca -0.15 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 2dm2 n ALA 102 Cb 0.48 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.65 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm2 s VAL 103 N 2.34 0.87 0.38 0.00 0.11 -1.26 -4.86 120.40 117.97 2dm2 s VAL 103 Ca 0.94 -1.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.73 2dm2 s VAL 103 Cb -1.08 -1.43 -0.09 0.00 -1.53 0.00 0.00 36.38 32.25 2dm2 s VAL 103 CO 0.61 -0.36 1.16 0.21 -3.33 0.00 0.00 175.10 173.39 2dm2 s ASN 104 N 1.67 6.63 0.06 3.54 2.47 -1.26 -4.91 114.94 123.15 2dm2 s ASN 104 Ca 0.02 2.33 -0.02 0.00 0.42 0.00 0.00 52.86 55.61 2dm2 s ASN 104 Cb -0.18 -2.61 -0.01 0.00 -1.45 0.00 0.00 41.25 37.00 2dm2 s ASN 104 CO -0.14 -0.60 -0.04 -1.54 -3.72 0.00 0.00 177.10 171.07 2dm2 n SER 105 N 0.22 1.09 0.00 -4.21 3.41 -1.26 -5.16 113.62 107.71 2dm2 n SER 105 Ca 0.04 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2dm2 n SER 105 Cb 0.46 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2dm2 n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm2 n GLY 106 N 3.26 -0.65 3.75 5.00 0.00 -1.26 -5.14 105.19 110.15 2dm2 n GLY 106 Ca -0.01 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2dm2 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm2 s PRO 107 N -0.45 4.43 0.40 1.61 0.04 -1.26 -4.97 135.00 134.81 2dm2 s PRO 107 Ca 0.00 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 2dm2 s PRO 107 Cb 0.00 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.29 2dm2 s PRO 107 CO 0.00 -0.13 1.33 0.45 0.04 0.00 0.00 177.00 178.69 2dm2 n SER 108 N 1.70 2.91 -4.46 6.66 2.88 -1.26 -5.01 113.62 117.04 2dm2 n SER 108 Ca 0.02 1.15 -0.28 0.00 -1.33 0.00 0.00 58.87 58.44 2dm2 n SER 108 Cb 0.43 -1.53 -0.11 0.00 -0.75 0.00 0.00 64.21 62.24 2dm2 n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dm2 s SER 109 N -0.41 3.68 0.00 -3.46 1.04 -1.26 -5.30 113.70 107.98 2dm2 s SER 109 Ca 0.59 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2dm2 s SER 109 Cb -0.51 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2dm2 s SER 109 CO 0.60 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.57