#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 n SER 2 N 0.00 1.48 -3.99 1.61 2.88 -1.26 -5.02 113.62 109.32 2dm2 n SER 2 Ca 0.00 0.16 -0.30 0.00 -1.33 0.00 0.00 58.87 57.40 2dm2 n SER 2 Cb 0.00 -0.46 -0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2dm2 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dm2 n SER 3 N -3.63 -2.78 0.00 -3.46 7.64 -1.26 -4.81 113.62 105.33 2dm2 n SER 3 Ca -0.33 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2dm2 n SER 3 Cb 0.75 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 2dm2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm2 n GLY 4 N -1.66 -0.18 3.37 0.23 0.00 -1.26 -5.13 105.19 100.55 2dm2 n GLY 4 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2dm2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm2 s SER 5 N -4.12 -0.63 -0.47 1.61 1.04 -1.26 -5.12 113.70 104.74 2dm2 s SER 5 Ca 0.00 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 2dm2 s SER 5 Cb 0.00 0.96 0.07 0.00 0.10 0.00 0.00 66.02 67.15 2dm2 s SER 5 CO 0.00 -0.21 0.42 -0.44 0.98 0.00 0.00 173.24 173.99 2dm2 s SER 6 N 1.51 6.15 -0.45 7.02 0.01 -1.26 -4.93 113.70 121.75 2dm2 s SER 6 Ca -0.09 -1.28 0.04 0.00 1.31 0.00 0.00 55.95 55.93 2dm2 s SER 6 Cb -0.08 -2.19 0.44 0.00 0.21 0.00 0.00 66.02 64.40 2dm2 s SER 6 CO -0.15 -0.67 1.43 0.61 0.41 0.00 0.00 173.24 174.87 2dm2 n GLY 7 N 5.20 6.15 3.73 3.44 0.00 -1.26 -5.06 105.19 117.39 2dm2 n GLY 7 Ca -0.12 -2.60 -0.31 0.00 0.00 0.00 0.00 46.02 42.99 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 -3.68 1.95 0.29 4.61 0.00 -1.26 -3.90 121.76 119.77 2dm2 s ALA 8 Ca 0.54 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2dm2 s ALA 8 Cb 0.43 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 2dm2 s ALA 8 CO -0.05 -2.14 1.24 -1.25 0.00 0.00 0.00 175.76 173.56 2dm2 s PRO 9 N -4.71 4.45 -0.07 0.00 0.04 -1.26 -4.32 135.00 129.13 2dm2 s PRO 9 Ca 0.64 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.71 2dm2 s PRO 9 Cb -0.20 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.25 2dm2 s PRO 9 CO 0.55 -0.07 0.14 -0.59 0.04 0.00 0.00 177.00 177.08 2dm2 s PHE 10 N -0.95 -0.15 -0.11 0.56 -0.12 -1.22 -4.76 117.98 111.23 2dm2 s PHE 10 Ca 0.49 0.51 -0.29 0.00 -0.05 0.00 0.00 56.93 57.59 2dm2 s PHE 10 Cb -0.37 -0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 41.78 2dm2 s PHE 10 CO 0.47 -0.21 1.95 -0.06 -0.05 0.00 0.00 175.22 177.32 2dm2 s PHE 11 N 1.69 1.47 0.05 3.49 0.08 -1.26 -2.30 117.98 121.20 2dm2 s PHE 11 Ca -0.03 0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 2dm2 s PHE 11 Cb -0.12 -4.07 -0.32 0.00 -0.57 0.00 0.00 43.02 37.94 2dm2 s PHE 11 CO -0.06 -4.39 1.06 0.93 -0.10 0.00 0.00 175.22 172.67 2dm2 h GLU 12 N 11.99 0.48 -3.06 0.44 5.08 -1.13 -3.42 114.58 124.97 2dm2 h GLU 12 Ca -0.43 -0.79 -0.60 0.00 -1.00 0.00 0.00 59.36 56.55 2dm2 h GLU 12 Cb 1.21 0.29 -0.40 0.00 0.50 0.00 0.00 28.75 30.35 2dm2 h GLU 12 CO 0.96 1.37 -0.76 1.41 -1.00 0.00 0.00 179.01 181.00 2dm2 s MET 13 N -2.68 1.05 0.84 2.33 0.00 -1.22 -4.95 119.30 114.66 2dm2 s MET 13 Ca -0.08 -1.70 -0.16 0.00 0.00 0.00 0.00 55.69 53.75 2dm2 s MET 13 Cb 0.05 -2.11 -0.08 0.00 0.00 0.00 0.00 34.83 32.69 2dm2 s MET 13 CO 0.93 -1.13 -0.08 1.63 0.00 0.00 0.00 175.02 176.37 2dm2 n LYS 14 N 3.91 0.01 -1.95 4.11 4.76 -1.26 -3.92 118.16 123.82 2dm2 n LYS 14 Ca 0.07 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 2dm2 n LYS 14 Cb 0.36 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.12 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dm2 s LEU 15 N 3.35 4.37 0.29 -0.35 1.43 -1.26 -4.91 118.68 121.60 2dm2 s LEU 15 Ca 0.53 2.71 -0.06 0.00 -1.03 0.00 0.00 54.13 56.29 2dm2 s LEU 15 Cb -0.28 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 2dm2 s LEU 15 CO 0.70 -0.77 0.57 -0.75 0.23 0.00 0.00 176.35 176.33 2dm2 s LYS 16 N -0.05 3.66 -0.23 1.70 2.47 -1.26 -4.96 119.74 121.06 2dm2 s LYS 16 Ca 0.63 0.06 -0.15 0.00 -1.56 0.00 0.00 55.97 54.94 2dm2 s LYS 16 Cb -0.43 -2.63 -0.04 0.00 -1.46 0.00 0.00 37.83 33.26 2dm2 s LYS 16 CO 0.41 0.21 0.37 -1.01 0.16 0.00 0.00 175.35 175.49 2dm2 s HIS 17 N -2.07 3.32 -0.13 4.03 3.76 -1.26 -4.81 115.29 118.13 2dm2 s HIS 17 Ca 0.45 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.89 2dm2 s HIS 17 Cb -0.11 -2.52 0.01 0.00 1.11 0.00 0.00 32.58 31.07 2dm2 s HIS 17 CO 0.29 -0.09 -0.20 0.71 -0.85 0.00 0.00 174.74 174.60 2dm2 s TYR 18 N 1.59 2.47 -0.24 1.40 2.02 -1.26 -5.11 117.35 118.22 2dm2 s TYR 18 Ca 0.17 -1.21 -0.09 0.00 -0.37 0.00 0.00 57.07 55.56 2dm2 s TYR 18 Cb -0.15 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2dm2 s TYR 18 CO 0.08 -0.56 0.12 0.21 -1.57 0.00 0.00 175.55 173.83 2dm2 s LYS 19 N 0.83 3.93 0.30 -0.62 2.36 -1.26 -3.84 119.74 121.44 2dm2 s LYS 19 Ca -0.08 -0.34 0.03 0.00 -2.55 0.00 0.00 55.97 53.03 2dm2 s LYS 19 Cb -0.15 -3.44 -0.03 0.00 -1.05 0.00 0.00 37.83 33.16 2dm2 s LYS 19 CO -0.01 0.00 0.29 0.96 1.55 0.00 0.00 175.35 178.14 2dm2 s ILE 20 N 1.17 0.00 0.54 5.43 -4.36 -0.53 -5.00 121.20 118.45 2dm2 s ILE 20 Ca 0.06 -1.90 0.09 0.00 -0.26 0.00 0.00 60.65 58.63 2dm2 s ILE 20 Cb -0.14 -2.52 0.06 0.00 1.25 0.00 0.00 42.46 41.11 2dm2 s ILE 20 CO 0.05 0.00 0.67 -0.36 0.24 0.00 0.00 174.94 175.54 2dm2 s PHE 21 N -3.55 1.74 -0.03 1.37 0.40 -1.26 -3.18 117.98 113.47 2dm2 s PHE 21 Ca 0.38 -0.68 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 2dm2 s PHE 21 Cb 0.03 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 2dm2 s PHE 21 CO 0.22 -0.87 1.50 -2.00 0.70 0.00 0.00 175.22 174.78 2dm2 s GLU 22 N -4.52 4.23 0.00 0.44 2.12 -0.26 -2.96 118.70 117.74 2dm2 s GLU 22 Ca 0.55 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.94 2dm2 s GLU 22 Cb -0.06 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2dm2 s GLU 22 CO 0.35 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2dm2 n GLY 23 N 3.86 3.11 3.72 -1.50 0.00 -0.47 -4.71 105.19 109.20 2dm2 n GLY 23 Ca 0.15 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dm2 n MET 24 N 0.00 1.89 -1.21 1.61 2.81 -1.16 -3.83 117.12 117.23 2dm2 n MET 24 Ca 0.00 0.68 -0.30 0.00 -1.81 0.00 0.00 57.70 56.27 2dm2 n MET 24 Cb 0.00 -2.49 0.13 0.00 -0.71 0.00 0.00 33.22 30.15 2dm2 n MET 24 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2dm2 s PRO 25 N -2.50 1.40 0.01 0.03 0.04 -1.26 -3.87 135.00 128.86 2dm2 s PRO 25 Ca 0.65 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2dm2 s PRO 25 Cb -0.46 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2dm2 s PRO 25 CO 0.55 -2.15 0.02 0.54 0.04 0.00 0.00 177.00 175.99 2dm2 s VAL 26 N -2.93 0.08 -0.03 -0.36 0.11 -1.05 -4.99 120.40 111.24 2dm2 s VAL 26 Ca 0.63 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2dm2 s VAL 26 Cb -0.18 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2dm2 s VAL 26 CO 0.57 -0.38 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.03 2dm2 s THR 27 N -1.15 0.46 -0.25 5.04 2.01 -1.26 -1.89 115.64 118.60 2dm2 s THR 27 Ca -0.13 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2dm2 s THR 27 Cb -0.08 -0.48 0.06 0.00 0.01 0.00 0.00 72.50 72.02 2dm2 s THR 27 CO -0.00 0.19 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.69 2dm2 s PHE 28 N 0.69 2.68 -0.03 4.92 0.08 -0.39 -4.97 117.98 120.95 2dm2 s PHE 28 Ca -0.09 -1.96 0.01 0.00 0.12 0.00 0.00 56.93 55.02 2dm2 s PHE 28 Cb -0.12 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2dm2 s PHE 28 CO -0.00 -0.81 -0.05 0.99 -0.10 0.00 0.00 175.22 175.25 2dm2 s THR 29 N 1.30 3.82 -0.28 0.64 2.01 -1.26 -1.76 115.64 120.11 2dm2 s THR 29 Ca -0.06 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 2dm2 s THR 29 Cb -0.19 -2.63 0.08 0.00 0.01 0.00 0.00 72.50 69.78 2dm2 s THR 29 CO -0.06 0.49 0.74 0.00 -0.69 0.00 0.00 174.62 175.10 2dm2 s ARG 31 N 1.09 3.63 -0.16 0.00 0.52 -1.25 -3.35 118.95 119.44 2dm2 s ARG 31 Ca -0.06 -0.37 -0.07 0.00 -0.52 0.00 0.00 55.73 54.72 2dm2 s ARG 31 Cb -0.05 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 2dm2 s ARG 31 CO -0.11 -0.47 0.08 0.08 0.02 0.00 0.00 175.30 174.89 2dm2 s VAL 32 N 2.00 4.93 0.54 3.52 1.01 -1.26 -0.46 120.40 130.67 2dm2 s VAL 32 Ca 0.12 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2dm2 s VAL 32 Cb -0.16 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2dm2 s VAL 32 CO 0.11 0.51 0.65 0.00 0.00 0.00 0.00 175.10 176.37 2dm2 s ALA 33 N -0.10 4.58 0.00 5.51 0.00 -0.97 -4.90 121.76 125.88 2dm2 s ALA 33 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2dm2 s ALA 33 Cb -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2dm2 s ALA 33 CO 0.01 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2dm2 n GLY 34 N -2.04 2.29 3.29 0.00 0.00 -1.26 -3.44 105.19 104.03 2dm2 n GLY 34 Ca 0.10 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 2dm2 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s ASN 35 N 0.00 2.73 1.16 1.61 4.22 -1.25 -4.10 114.94 119.30 2dm2 s ASN 35 Ca 0.00 -0.59 -0.13 0.00 -2.14 0.00 0.00 52.86 50.00 2dm2 s ASN 35 Cb 0.00 -0.21 0.19 0.00 1.28 0.00 0.00 41.25 42.51 2dm2 s ASN 35 CO 0.00 0.17 0.69 -0.81 -2.04 0.00 0.00 177.10 175.10 2dm2 n PRO 36 N 1.59 -2.37 -1.49 3.55 -0.04 -1.26 -4.92 135.00 130.05 2dm2 n PRO 36 Ca -0.18 -1.10 -0.48 0.00 -0.04 0.00 0.00 63.50 61.70 2dm2 n PRO 36 Cb 0.53 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.90 2dm2 n PRO 36 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dm2 n LYS 37 N -3.62 1.34 -2.26 0.54 4.01 -1.26 -4.91 118.16 112.00 2dm2 n LYS 37 Ca 0.10 0.36 -0.36 0.00 -0.51 0.00 0.00 58.31 57.90 2dm2 n LYS 37 Cb 0.37 -2.72 -0.00 0.00 -0.51 0.00 0.00 35.03 32.17 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2dm2 s PRO 38 N 6.35 3.48 -0.06 1.97 0.04 -1.26 -4.97 135.00 140.55 2dm2 s PRO 38 Ca 1.07 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.47 2dm2 s PRO 38 Cb -0.68 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 2dm2 s PRO 38 CO 0.44 -0.75 1.34 0.15 0.04 0.00 0.00 177.00 178.22 2dm2 s LYS 39 N -3.11 4.28 0.24 4.56 1.02 -1.04 -4.77 119.74 120.92 2dm2 s LYS 39 Ca 0.70 1.84 -0.05 0.00 0.02 0.00 0.00 55.97 58.48 2dm2 s LYS 39 Cb -0.25 -3.65 -0.06 0.00 -0.52 0.00 0.00 37.83 33.35 2dm2 s LYS 39 CO 0.29 -0.60 0.50 0.42 -0.92 0.00 0.00 175.35 175.04 2dm2 s ILE 40 N 2.76 5.05 -0.15 2.17 -1.09 -1.26 -1.91 121.20 126.77 2dm2 s ILE 40 Ca 0.61 0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 59.04 2dm2 s ILE 40 Cb -0.28 -3.69 0.07 0.00 -1.58 0.00 0.00 42.46 36.98 2dm2 s ILE 40 CO 0.23 -0.19 0.34 -0.31 -1.23 0.00 0.00 174.94 173.77 2dm2 s TYR 41 N -1.93 -0.56 -0.36 3.97 2.02 -1.10 -5.01 117.35 114.38 2dm2 s TYR 41 Ca 0.43 1.18 -0.16 0.00 -0.37 0.00 0.00 57.07 58.15 2dm2 s TYR 41 Cb -0.11 0.14 -0.00 0.00 -0.40 0.00 0.00 41.96 41.58 2dm2 s TYR 41 CO 0.27 -0.37 0.42 -1.58 -1.57 0.00 0.00 175.55 172.72 2dm2 s TRP 42 N 2.11 3.19 -0.21 2.71 0.52 -1.26 -2.49 118.94 123.52 2dm2 s TRP 42 Ca -0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.00 2dm2 s TRP 42 Cb -0.11 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 2dm2 s TRP 42 CO -0.11 -0.51 0.03 -0.06 0.02 0.00 0.00 176.95 176.33 2dm2 s PHE 43 N 2.15 3.10 -0.32 -1.98 0.08 -0.46 -2.09 117.98 118.45 2dm2 s PHE 43 Ca 0.14 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 2dm2 s PHE 43 Cb -0.16 -2.12 0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2dm2 s PHE 43 CO 0.12 -0.16 0.06 0.21 -0.10 0.00 0.00 175.22 175.36 2dm2 s LYS 44 N 0.98 2.56 -1.50 0.44 2.20 0.78 -1.41 119.74 123.79 2dm2 s LYS 44 Ca 0.03 -1.21 -0.14 0.00 -0.36 0.00 0.00 55.97 54.29 2dm2 s LYS 44 Cb -0.14 -3.35 0.10 0.00 -1.51 0.00 0.00 37.83 32.93 2dm2 s LYS 44 CO 0.02 -0.64 0.74 -0.25 -0.36 0.00 0.00 175.35 174.85 2dm2 n ASP 45 N 4.74 -3.99 -0.43 1.43 8.00 -1.21 -0.95 116.55 124.15 2dm2 n ASP 45 Ca -0.13 -0.70 -0.01 0.00 0.71 0.00 0.00 54.79 54.67 2dm2 n ASP 45 Cb 0.44 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm2 n GLY 46 N -1.40 0.75 2.95 0.44 0.00 -1.26 -5.07 105.19 101.59 2dm2 n GLY 46 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 2dm2 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm2 s LYS 47 N -4.73 0.23 -0.21 1.61 0.00 -0.13 -5.13 119.74 111.39 2dm2 s LYS 47 Ca 0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 55.97 55.37 2dm2 s LYS 47 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 37.83 37.78 2dm2 s LYS 47 CO 0.01 -0.00 0.86 -1.14 0.00 0.00 0.00 175.35 175.08 2dm2 s GLN 48 N -0.79 4.24 -0.21 1.78 0.74 -1.26 -0.16 119.66 124.00 2dm2 s GLN 48 Ca -0.07 1.03 -0.21 0.00 0.05 0.00 0.00 55.36 56.15 2dm2 s GLN 48 Cb -0.05 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 2dm2 s GLN 48 CO -0.00 -0.45 0.65 0.42 -0.55 0.00 0.00 175.29 175.36 2dm2 s ILE 49 N 2.59 4.99 0.36 -2.34 1.01 -0.89 -4.96 121.20 121.95 2dm2 s ILE 49 Ca 0.37 1.21 -0.27 0.00 0.00 0.00 0.00 60.65 61.97 2dm2 s ILE 49 Cb -0.16 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 2dm2 s ILE 49 CO 0.09 0.08 1.16 -0.55 0.00 0.00 0.00 174.94 175.72 2dm2 s SER 50 N 1.27 6.79 0.02 3.58 0.15 -1.26 -4.77 113.70 119.49 2dm2 s SER 50 Ca 0.29 2.35 -0.22 0.00 0.70 0.00 0.00 55.95 59.07 2dm2 s SER 50 Cb -0.16 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.37 2dm2 s SER 50 CO 0.10 -0.49 1.32 1.55 1.20 0.00 0.00 173.24 176.92 2dm2 h PRO 51 N 3.07 0.24 -0.45 5.44 0.13 -1.96 -3.12 132.00 135.35 2dm2 h PRO 51 Ca -0.48 -0.13 0.10 0.00 -0.87 0.00 0.00 66.00 64.62 2dm2 h PRO 51 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2dm2 h PRO 51 CO 0.64 0.66 0.31 0.87 -0.23 0.00 0.00 178.00 180.25 2dm2 h LYS 52 N -0.17 0.16 -4.91 0.86 1.57 -1.93 -3.44 116.57 108.71 2dm2 h LYS 52 Ca 0.02 -0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2dm2 h LYS 52 Cb 0.62 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.92 2dm2 h LYS 52 CO 0.02 0.11 0.15 -1.13 -0.57 0.00 0.00 179.45 178.03 2dm2 n SER 53 N -4.45 0.19 0.07 0.86 3.41 -1.18 -4.84 113.62 107.68 2dm2 n SER 53 Ca 0.07 0.95 -0.18 0.00 -0.26 0.00 0.00 58.87 59.46 2dm2 n SER 53 Cb 0.40 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 2dm2 n SER 53 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2dm2 h ASP 54 N 2.78 0.71 -0.67 4.04 3.32 -1.90 -3.29 116.42 121.42 2dm2 h ASP 54 Ca -0.41 -0.61 0.12 0.00 0.02 0.00 0.00 57.03 56.15 2dm2 h ASP 54 Cb 1.16 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.40 2dm2 h ASP 54 CO 0.59 1.42 0.23 -0.74 -1.72 0.00 0.00 179.24 179.02 2dm2 h HIS 55 N 0.27 0.39 -3.27 4.55 2.76 -1.95 -3.39 115.15 114.51 2dm2 h HIS 55 Ca -0.13 0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.44 2dm2 h HIS 55 Cb 1.74 -0.07 -0.17 0.00 1.55 0.00 0.00 27.41 30.46 2dm2 h HIS 55 CO 0.09 0.05 -0.60 0.71 -1.30 0.00 0.00 177.93 176.87 2dm2 s TYR 56 N -6.07 3.18 -0.38 5.26 2.02 -1.24 -4.25 117.35 115.88 2dm2 s TYR 56 Ca -0.13 0.03 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 2dm2 s TYR 56 Cb 0.19 -1.97 0.09 0.00 -0.40 0.00 0.00 41.96 39.87 2dm2 s TYR 56 CO 0.75 0.21 0.16 0.99 -1.57 0.00 0.00 175.55 176.09 2dm2 s THR 57 N -0.02 3.30 -0.29 -0.71 2.01 -0.43 -4.64 115.64 114.86 2dm2 s THR 57 Ca 0.04 -1.82 -0.13 0.00 0.31 0.00 0.00 61.69 60.10 2dm2 s THR 57 Cb -0.13 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2dm2 s THR 57 CO 0.02 -0.52 0.26 -0.63 -0.69 0.00 0.00 174.62 173.06 2dm2 s ILE 58 N 1.20 5.26 0.01 1.82 1.01 -1.26 -1.89 121.20 127.34 2dm2 s ILE 58 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2dm2 s ILE 58 Cb -0.22 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2dm2 s ILE 58 CO -0.03 0.18 -0.02 -1.10 0.00 0.00 0.00 174.94 173.98 2dm2 s GLN 59 N 1.87 0.14 0.00 2.79 -0.21 -1.12 -4.99 119.66 118.14 2dm2 s GLN 59 Ca 0.10 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.24 2dm2 s GLN 59 Cb -0.16 0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.86 2dm2 s GLN 59 CO 0.11 -0.01 -0.04 -0.98 -2.12 0.00 0.00 175.29 172.25 2dm2 s ARG 60 N -0.57 0.28 0.75 2.91 1.70 -1.26 -0.74 118.95 122.02 2dm2 s ARG 60 Ca -0.06 -0.20 -0.10 0.00 -0.47 0.00 0.00 55.73 54.90 2dm2 s ARG 60 Cb -0.04 -0.23 0.06 0.00 -0.57 0.00 0.00 34.95 34.17 2dm2 s ARG 60 CO -0.00 0.06 1.11 0.34 -1.08 0.00 0.00 175.30 175.72 2dm2 s ASP 61 N -0.29 4.79 0.45 -2.89 2.15 -1.14 -4.86 116.67 114.89 2dm2 s ASP 61 Ca -0.01 0.75 0.19 0.00 0.43 0.00 0.00 52.55 53.91 2dm2 s ASP 61 Cb -0.02 -1.35 1.15 0.00 -0.30 0.00 0.00 42.92 42.40 2dm2 s ASP 61 CO -0.00 -1.69 1.92 -0.07 -0.17 0.00 0.00 175.17 175.15 2dm2 h LEU 62 N -0.83 0.29 -0.93 -1.34 3.38 -2.02 0.12 115.31 114.00 2dm2 h LEU 62 Ca -0.45 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 2dm2 h LEU 62 Cb 1.31 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2dm2 h LEU 62 CO 0.64 0.14 -0.15 0.44 0.09 0.00 0.00 178.44 179.61 2dm2 h ASP 63 N 0.31 0.61 0.00 -0.43 5.19 -2.03 -3.47 116.42 116.61 2dm2 h ASP 63 Ca 0.38 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2dm2 h ASP 63 Cb 1.02 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2dm2 h ASP 63 CO -0.10 0.78 0.00 0.61 -3.12 0.00 0.00 179.24 177.41 2dm2 n GLY 64 N -0.49 1.75 3.37 2.75 0.00 0.42 -5.03 105.19 107.95 2dm2 n GLY 64 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 5.14 0.56 2.61 2.01 -1.25 -4.03 115.64 118.68 2dm2 s THR 65 Ca 0.00 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 2dm2 s THR 65 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2dm2 s THR 65 CO 0.00 -0.75 1.06 0.00 -0.69 0.00 0.00 174.62 174.24 2dm2 s SER 67 N -2.45 -0.33 -0.23 0.00 1.04 0.08 -3.27 113.70 108.54 2dm2 s SER 67 Ca 0.66 0.54 -0.15 0.00 0.48 0.00 0.00 55.95 57.48 2dm2 s SER 67 Cb -0.17 1.49 -0.04 0.00 0.10 0.00 0.00 66.02 67.40 2dm2 s SER 67 CO 0.32 -0.28 0.38 -0.22 0.98 0.00 0.00 173.24 174.42 2dm2 s LEU 68 N 2.66 4.11 -0.01 2.42 2.96 -0.72 -2.80 118.68 127.29 2dm2 s LEU 68 Ca 0.13 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2dm2 s LEU 68 Cb -0.15 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 2dm2 s LEU 68 CO -0.17 -0.12 -0.25 -2.28 -1.32 0.00 0.00 176.35 172.21 2dm2 s HIS 69 N 1.62 2.36 -0.24 5.38 5.65 -0.79 -1.26 115.29 128.01 2dm2 s HIS 69 Ca 0.17 -0.41 -0.02 0.00 0.25 0.00 0.00 55.06 55.05 2dm2 s HIS 69 Cb -0.15 -1.48 0.08 0.00 -1.18 0.00 0.00 32.58 29.84 2dm2 s HIS 69 CO 0.08 0.02 0.06 0.99 -0.65 0.00 0.00 174.74 175.25 2dm2 s THR 70 N -0.67 0.66 0.39 0.89 2.01 -0.79 -1.32 115.64 116.80 2dm2 s THR 70 Ca 0.11 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.26 2dm2 s THR 70 Cb -0.10 -1.29 0.27 0.00 0.01 0.00 0.00 72.50 71.39 2dm2 s THR 70 CO 0.00 -0.40 2.04 0.00 -0.69 0.00 0.00 174.62 175.57 2dm2 h THR 71 N 6.51 1.12 -3.20 -0.82 1.03 -1.88 -2.77 112.91 112.90 2dm2 h THR 71 Ca -0.16 -0.23 -0.54 0.00 -0.01 0.00 0.00 66.41 65.48 2dm2 h THR 71 Cb 1.07 0.40 -0.37 0.00 -1.07 0.00 0.00 68.15 68.18 2dm2 h THR 71 CO 0.39 0.12 -0.80 0.00 -0.01 0.00 0.00 175.52 175.22 2dm2 s ALA 72 N -5.58 1.38 -0.38 0.00 0.00 -1.26 -4.20 121.76 111.71 2dm2 s ALA 72 Ca -0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2dm2 s ALA 72 Cb 0.18 -0.95 0.09 0.00 0.00 0.00 0.00 23.12 22.44 2dm2 s ALA 72 CO 0.74 -0.46 0.16 -1.54 0.00 0.00 0.00 175.76 174.66 2dm2 s SER 73 N 1.69 5.23 0.57 0.00 1.04 -1.25 -4.99 113.70 115.98 2dm2 s SER 73 Ca 0.04 -1.76 -0.08 0.00 0.48 0.00 0.00 55.95 54.64 2dm2 s SER 73 Cb -0.13 -1.82 -0.02 0.00 0.10 0.00 0.00 66.02 64.14 2dm2 s SER 73 CO -0.08 -0.47 0.91 0.42 0.98 0.00 0.00 173.24 174.99 2dm2 s THR 74 N 1.21 4.42 0.30 2.02 -4.23 -1.26 -1.37 115.64 116.74 2dm2 s THR 74 Ca 0.04 0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 2dm2 s THR 74 Cb -0.22 -3.73 0.36 0.00 1.34 0.00 0.00 72.50 70.24 2dm2 s THR 74 CO -0.02 -0.82 1.61 -0.07 -0.54 0.00 0.00 174.62 174.77 2dm2 h LEU 75 N -0.10 -0.17 -1.28 4.79 3.38 -1.97 1.42 115.31 121.39 2dm2 h LEU 75 Ca -0.46 0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2dm2 h LEU 75 Cb 1.22 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2dm2 h LEU 75 CO 0.62 -0.27 -0.24 0.44 0.09 0.00 0.00 178.44 179.07 2dm2 h ASP 76 N 0.10 0.18 -1.10 -0.43 3.32 -1.98 -2.85 116.42 113.65 2dm2 h ASP 76 Ca 0.60 -0.05 0.32 0.00 0.02 0.00 0.00 57.03 57.93 2dm2 h ASP 76 Cb 1.29 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 2dm2 h ASP 76 CO -0.78 0.43 0.69 -0.78 -1.72 0.00 0.00 179.24 177.08 2dm2 h ASP 77 N 0.17 0.43 -3.39 6.45 3.58 0.16 -3.40 116.42 120.41 2dm2 h ASP 77 Ca 0.03 0.13 -0.41 0.00 0.42 0.00 0.00 57.03 57.19 2dm2 h ASP 77 Cb 0.52 0.07 0.20 0.00 1.72 0.00 0.00 39.33 41.84 2dm2 h ASP 77 CO 0.04 -0.04 0.05 1.51 -2.88 0.00 0.00 179.24 177.93 2dm2 s ASP 78 N -4.97 0.62 0.00 2.28 1.47 -1.08 -4.89 116.67 110.10 2dm2 s ASP 78 Ca -0.09 0.90 0.00 0.00 1.18 0.00 0.00 52.55 54.54 2dm2 s ASP 78 Cb 0.28 -1.33 0.00 0.00 -0.34 0.00 0.00 42.92 41.53 2dm2 s ASP 78 CO 0.80 -4.34 0.00 0.61 0.68 0.00 0.00 175.17 172.92 2dm2 n GLY 79 N -0.08 0.63 2.75 2.12 0.00 -1.26 -5.00 105.19 104.36 2dm2 n GLY 79 Ca 0.10 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 2dm2 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s ASN 80 N -4.00 1.55 0.08 1.61 4.22 -1.26 -3.41 114.94 113.73 2dm2 s ASN 80 Ca 0.00 -0.45 -0.24 0.00 -2.14 0.00 0.00 52.86 50.03 2dm2 s ASN 80 Cb 0.00 0.43 -0.06 0.00 1.28 0.00 0.00 41.25 42.90 2dm2 s ASN 80 CO 0.00 -0.35 0.72 -0.31 -2.04 0.00 0.00 177.10 175.12 2dm2 s TYR 81 N 2.34 3.79 -0.13 1.54 1.51 -1.11 -3.29 117.35 122.00 2dm2 s TYR 81 Ca 0.08 1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 2dm2 s TYR 81 Cb -0.15 -2.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.00 2dm2 s TYR 81 CO -0.22 0.39 -0.04 0.99 -1.11 0.00 0.00 175.55 175.57 2dm2 s THR 82 N -0.51 0.87 -0.30 -0.71 2.01 -0.50 -0.61 115.64 115.89 2dm2 s THR 82 Ca 0.36 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 2dm2 s THR 82 Cb -0.21 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 2dm2 s THR 82 CO 0.23 0.21 0.15 -0.51 -0.69 0.00 0.00 174.62 174.00 2dm2 s ILE 83 N 1.75 4.65 -0.16 1.82 2.07 -1.22 -1.36 121.20 128.76 2dm2 s ILE 83 Ca 0.03 -0.31 -0.04 0.00 -1.41 0.00 0.00 60.65 58.92 2dm2 s ILE 83 Cb -0.14 -3.32 -0.03 0.00 0.13 0.00 0.00 42.46 39.10 2dm2 s ILE 83 CO -0.07 0.13 -0.04 -0.32 -1.91 0.00 0.00 174.94 172.72 2dm2 s MET 84 N 1.63 3.67 0.09 3.50 -2.45 -1.04 -1.71 119.30 122.99 2dm2 s MET 84 Ca 0.05 -0.52 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 2dm2 s MET 84 Cb -0.17 -2.91 -0.04 0.00 1.25 0.00 0.00 34.83 32.96 2dm2 s MET 84 CO 0.06 0.24 0.09 0.00 1.05 0.00 0.00 175.02 176.47 2dm2 s ALA 85 N 0.36 3.60 -0.16 4.11 0.00 -0.51 -2.70 121.76 126.46 2dm2 s ALA 85 Ca -0.04 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2dm2 s ALA 85 Cb -0.14 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.54 2dm2 s ALA 85 CO 0.03 0.73 -0.19 0.00 0.00 0.00 0.00 175.76 176.33 2dm2 s ALA 86 N -1.43 2.19 0.00 0.00 0.00 -0.80 -3.38 121.76 118.34 2dm2 s ALA 86 Ca 0.30 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2dm2 s ALA 86 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 2dm2 s ALA 86 CO 0.23 -0.25 -0.02 1.21 0.00 0.00 0.00 175.76 176.93 2dm2 s ASN 87 N 1.17 0.19 0.00 0.00 2.47 -1.20 -2.49 114.94 115.09 2dm2 s ASN 87 Ca 0.01 -0.13 0.09 0.00 0.42 0.00 0.00 52.86 53.25 2dm2 s ASN 87 Cb -0.14 0.01 0.52 0.00 -1.45 0.00 0.00 41.25 40.19 2dm2 s ASN 87 CO -0.09 -0.05 0.97 -0.81 -3.72 0.00 0.00 177.10 173.40 2dm2 n PRO 88 N 2.73 0.48 0.00 0.43 -0.04 -1.26 -1.89 135.00 135.45 2dm2 n PRO 88 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2dm2 n PRO 88 Cb 0.59 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.78 4.94 0.00 0.54 6.02 -1.26 -5.09 117.38 121.74 2dm2 n GLN 89 Ca 0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2dm2 n GLN 89 Cb 0.03 -0.46 0.00 0.00 1.02 0.00 0.00 30.24 30.83 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 0.72 3.75 3.50 1.08 0.00 -0.79 -4.33 105.19 109.12 2dm2 n GLY 90 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2dm2 n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dm2 s ARG 91 N -1.47 2.09 0.19 1.61 3.52 -1.26 -3.22 118.95 120.40 2dm2 s ARG 91 Ca 0.00 -0.99 -0.01 0.00 -0.13 0.00 0.00 55.73 54.59 2dm2 s ARG 91 Cb 0.00 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 2dm2 s ARG 91 CO 0.00 0.53 0.13 0.96 -0.81 0.00 0.00 175.30 176.11 2dm2 s ILE 92 N -1.03 0.02 0.08 4.11 -4.36 -1.22 -5.00 121.20 113.80 2dm2 s ILE 92 Ca 0.17 -1.96 -0.10 0.00 -0.26 0.00 0.00 60.65 58.51 2dm2 s ILE 92 Cb -0.11 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.22 2dm2 s ILE 92 CO 0.08 -0.10 0.21 -0.55 0.24 0.00 0.00 174.94 174.82 2dm2 s SER 93 N -3.13 0.06 0.32 4.36 0.15 -1.26 -1.42 113.70 112.78 2dm2 s SER 93 Ca 0.35 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2dm2 s SER 93 Cb 0.07 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2dm2 s SER 93 CO 0.10 -0.69 0.12 0.00 1.20 0.00 0.00 173.24 173.97 2dm2 s THR 95 N -3.48 0.08 0.05 0.00 2.01 -1.26 -3.38 115.64 109.66 2dm2 s THR 95 Ca 0.33 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 2dm2 s THR 95 Cb 0.06 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 2dm2 s THR 95 CO 0.16 -0.37 0.01 -0.83 -0.69 0.00 0.00 174.62 172.89 2dm2 s GLY 96 N -1.12 0.37 -0.03 4.40 0.00 0.22 -4.65 107.32 106.52 2dm2 s GLY 96 Ca -0.12 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.62 2dm2 s GLY 96 CO -0.01 -1.12 -0.10 -1.60 0.00 0.00 0.00 173.10 170.27 2dm2 s ARG 97 N -3.48 1.06 0.03 2.90 6.06 -1.26 -2.76 118.95 121.50 2dm2 s ARG 97 Ca 0.03 -0.36 0.09 0.00 -2.50 0.00 0.00 55.73 52.98 2dm2 s ARG 97 Cb 0.05 -0.98 -0.03 0.00 0.06 0.00 0.00 34.95 34.05 2dm2 s ARG 97 CO -0.08 0.15 -0.25 -0.51 -2.50 0.00 0.00 175.30 172.11 2dm2 s LEU 98 N 0.10 2.14 -0.29 -0.88 1.43 -1.22 -4.21 118.68 115.75 2dm2 s LEU 98 Ca -0.02 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2dm2 s LEU 98 Cb -0.08 -1.21 0.08 0.00 0.03 0.00 0.00 46.19 45.01 2dm2 s LEU 98 CO 0.01 0.24 -0.00 -0.04 0.23 0.00 0.00 176.35 176.79 2dm2 s MET 99 N -1.10 1.52 -0.14 1.70 -1.94 -1.25 -4.18 119.30 113.91 2dm2 s MET 99 Ca 0.10 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 2dm2 s MET 99 Cb -0.10 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 2dm2 s MET 99 CO 0.01 -0.78 -0.15 0.08 -0.01 0.00 0.00 175.02 174.17 2dm2 s VAL 100 N 1.20 2.76 -0.18 -6.03 1.01 -1.24 -1.45 120.40 116.48 2dm2 s VAL 100 Ca 0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2dm2 s VAL 100 Cb -0.19 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2dm2 s VAL 100 CO -0.10 0.52 0.01 -1.10 0.00 0.00 0.00 175.10 174.43 2dm2 s GLN 101 N 0.63 3.72 0.24 2.72 -0.21 -1.19 -4.84 119.66 120.72 2dm2 s GLN 101 Ca -0.08 -0.48 -0.31 0.00 0.02 0.00 0.00 55.36 54.51 2dm2 s GLN 101 Cb -0.16 -3.07 -0.13 0.00 1.00 0.00 0.00 33.01 30.65 2dm2 s GLN 101 CO 0.03 0.13 1.44 0.00 -2.12 0.00 0.00 175.29 174.77 2dm2 n ALA 102 N 3.90 1.24 -3.56 6.09 0.00 -1.26 -1.11 120.51 125.81 2dm2 n ALA 102 Ca -0.17 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 2dm2 n ALA 102 Cb 0.52 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 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 0.03 -0.55 0.91 0.00 0.11 -1.26 -4.86 120.40 114.77 2dm2 s VAL 103 Ca 0.69 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.74 2dm2 s VAL 103 Cb -0.64 -0.65 0.14 0.00 -1.53 0.00 0.00 36.38 33.69 2dm2 s VAL 103 CO 0.49 0.01 1.12 0.59 -3.33 0.00 0.00 175.10 173.97 2dm2 n ASN 104 N 5.37 0.31 -3.63 3.54 4.13 -1.26 -4.89 115.26 118.83 2dm2 n ASN 104 Ca -0.06 0.44 -0.03 0.00 1.68 0.00 0.00 54.58 56.60 2dm2 n ASN 104 Cb 0.50 -1.47 -0.00 0.00 -1.54 0.00 0.00 39.78 37.26 2dm2 n ASN 104 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2dm2 s SER 105 N -2.55 -0.12 0.00 6.41 1.04 -1.26 -5.16 113.70 112.07 2dm2 s SER 105 Ca 0.67 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2dm2 s SER 105 Cb -0.24 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2dm2 s SER 105 CO 0.58 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2dm2 n GLY 106 N -0.53 0.59 3.77 7.32 0.00 -1.26 -5.07 105.19 110.02 2dm2 n GLY 106 Ca -0.06 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.58 3.41 -0.28 1.61 0.04 -1.26 -4.89 135.00 133.05 2dm2 s PRO 107 Ca 0.00 1.63 -0.39 0.00 0.04 0.00 0.00 61.00 62.28 2dm2 s PRO 107 Cb 0.00 -2.06 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 2dm2 s PRO 107 CO 0.00 -0.80 1.85 -1.13 0.04 0.00 0.00 177.00 176.96 2dm2 n SER 108 N -1.19 2.42 -4.77 6.66 3.41 -1.26 -4.94 113.62 113.95 2dm2 n SER 108 Ca 0.11 0.94 -0.28 0.00 -0.26 0.00 0.00 58.87 59.38 2dm2 n SER 108 Cb 0.51 -1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 2dm2 n SER 108 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dm2 s SER 109 N 4.36 5.39 0.00 4.04 1.04 -1.26 -5.30 113.70 121.97 2dm2 s SER 109 Ca 1.01 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2dm2 s SER 109 Cb -1.01 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2dm2 s SER 109 CO 0.62 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.55