#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 6.38 -1.30 1.61 0.15 -1.26 -4.94 113.70 114.35 2dm2 s SER 2 Ca 0.00 0.41 -0.18 0.00 0.70 0.00 0.00 55.95 56.89 2dm2 s SER 2 Cb 0.00 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.84 2dm2 s SER 2 CO 0.00 -1.47 1.72 -0.24 1.20 0.00 0.00 173.24 174.45 2dm2 n SER 3 N 8.68 4.94 0.00 5.45 2.88 -1.26 -4.89 113.62 129.42 2dm2 n SER 3 Ca 0.12 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2dm2 n SER 3 Cb 0.49 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 2dm2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm2 n GLY 4 N 5.25 0.72 0.14 0.46 0.00 -1.26 -4.98 105.19 105.52 2dm2 n GLY 4 Ca 0.48 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 2dm2 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dm2 h SER 5 N 0.00 0.72 -3.72 1.61 0.87 -2.06 -3.44 113.55 107.53 2dm2 h SER 5 Ca 0.00 -0.93 -0.63 0.00 -1.23 0.00 0.00 61.79 59.00 2dm2 h SER 5 Cb 0.00 -0.23 -0.16 0.00 -0.44 0.00 0.00 62.40 61.57 2dm2 h SER 5 CO 0.00 1.64 -0.52 -0.44 -0.53 0.00 0.00 176.83 176.98 2dm2 s SER 6 N -7.39 6.04 0.00 6.23 0.01 -1.26 -4.91 113.70 112.42 2dm2 s SER 6 Ca -0.11 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2dm2 s SER 6 Cb 0.03 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2dm2 s SER 6 CO 0.90 0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.18 2dm2 n GLY 7 N 4.64 0.00 3.87 3.44 0.00 -1.26 -4.94 105.19 110.94 2dm2 n GLY 7 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.38 3.00 0.29 4.61 0.00 -1.26 -3.78 121.76 123.23 2dm2 s ALA 8 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 2dm2 s ALA 8 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 2dm2 s ALA 8 CO 0.00 -0.87 1.24 -1.25 0.00 0.00 0.00 175.76 174.89 2dm2 s PRO 9 N -5.22 4.45 -0.16 0.00 0.04 -1.26 -4.27 135.00 128.59 2dm2 s PRO 9 Ca 0.56 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.60 2dm2 s PRO 9 Cb -0.11 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.37 2dm2 s PRO 9 CO 0.54 -0.08 0.33 -0.59 0.04 0.00 0.00 177.00 177.24 2dm2 s PHE 10 N -0.89 -0.56 -0.08 0.56 -0.71 -1.25 -4.72 117.98 110.33 2dm2 s PHE 10 Ca 0.49 1.18 -0.30 0.00 -1.04 0.00 0.00 56.93 57.27 2dm2 s PHE 10 Cb -0.37 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2dm2 s PHE 10 CO 0.46 -0.38 1.66 -0.06 -1.34 0.00 0.00 175.22 175.56 2dm2 s PHE 11 N 2.22 1.97 -0.01 3.49 0.08 -1.26 -2.94 117.98 121.53 2dm2 s PHE 11 Ca -0.02 0.26 -0.09 0.00 0.12 0.00 0.00 56.93 57.20 2dm2 s PHE 11 Cb -0.11 -3.93 -0.30 0.00 -0.57 0.00 0.00 43.02 38.11 2dm2 s PHE 11 CO -0.11 -3.71 0.81 0.93 -0.10 0.00 0.00 175.22 173.04 2dm2 h GLU 12 N 9.88 0.36 -3.30 0.44 5.08 -1.65 -3.41 114.58 121.98 2dm2 h GLU 12 Ca -0.38 -0.62 -0.63 0.00 -1.00 0.00 0.00 59.36 56.72 2dm2 h GLU 12 Cb 1.18 0.23 -0.41 0.00 0.50 0.00 0.00 28.75 30.25 2dm2 h GLU 12 CO 0.96 1.26 -0.62 1.41 -1.00 0.00 0.00 179.01 181.03 2dm2 s MET 13 N -2.60 2.08 0.04 2.33 1.75 -1.26 -4.97 119.30 116.67 2dm2 s MET 13 Ca -0.12 -2.78 -0.34 0.00 -1.25 0.00 0.00 55.69 51.20 2dm2 s MET 13 Cb 0.06 -3.32 -0.12 0.00 2.84 0.00 0.00 34.83 34.28 2dm2 s MET 13 CO 0.87 -1.15 1.75 1.63 -0.65 0.00 0.00 175.02 177.47 2dm2 n LYS 14 N 2.85 2.23 -1.28 4.11 4.01 -1.26 -4.37 118.16 124.45 2dm2 n LYS 14 Ca 0.08 0.81 -0.50 0.00 -0.51 0.00 0.00 58.31 58.19 2dm2 n LYS 14 Cb 0.33 -2.63 -0.08 0.00 -0.51 0.00 0.00 35.03 32.14 2dm2 n LYS 14 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2dm2 n LEU 15 N 5.19 0.88 -4.90 -0.35 4.77 -1.26 -4.89 117.00 116.44 2dm2 n LEU 15 Ca 0.20 0.86 -0.28 0.00 -0.03 0.00 0.00 56.01 56.76 2dm2 n LEU 15 Cb 0.30 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2dm2 n LEU 15 CO 0.68 -0.62 0.53 -0.75 -1.33 0.00 0.00 177.39 175.90 2dm2 s LYS 16 N 2.38 3.47 -0.23 3.23 2.20 -1.26 -4.86 119.74 124.68 2dm2 s LYS 16 Ca 0.79 0.33 -0.21 0.00 -0.36 0.00 0.00 55.97 56.52 2dm2 s LYS 16 Cb -1.12 -2.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2dm2 s LYS 16 CO 0.60 -0.37 0.63 -1.01 -0.36 0.00 0.00 175.35 174.84 2dm2 s HIS 17 N -2.90 3.33 -0.19 4.03 3.76 -1.26 -4.77 115.29 117.28 2dm2 s HIS 17 Ca 0.50 0.87 -0.02 0.00 -0.15 0.00 0.00 55.06 56.26 2dm2 s HIS 17 Cb -0.11 -2.82 -0.01 0.00 1.11 0.00 0.00 32.58 30.76 2dm2 s HIS 17 CO 0.47 -0.25 -0.09 0.71 -0.85 0.00 0.00 174.74 174.73 2dm2 s TYR 18 N 2.22 2.90 -0.35 1.40 2.02 -1.26 -5.09 117.35 119.20 2dm2 s TYR 18 Ca 0.27 -0.92 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 2dm2 s TYR 18 Cb -0.16 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2dm2 s TYR 18 CO 0.09 -0.47 0.18 0.21 -1.57 0.00 0.00 175.55 174.00 2dm2 s LYS 19 N 1.11 2.98 0.28 -0.62 2.20 -1.26 -3.37 119.74 121.07 2dm2 s LYS 19 Ca 0.01 -0.97 0.04 0.00 -0.36 0.00 0.00 55.97 54.70 2dm2 s LYS 19 Cb -0.15 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 2dm2 s LYS 19 CO -0.02 -0.60 0.16 0.44 -0.36 0.00 0.00 175.35 174.97 2dm2 n ILE 20 N 4.98 0.00 -3.70 5.43 -5.35 -0.83 -5.03 119.36 114.86 2dm2 n ILE 20 Ca -0.12 -1.84 -0.21 0.00 -0.27 0.00 0.00 62.75 60.31 2dm2 n ILE 20 Cb 0.47 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 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 -2.87 2.80 0.24 4.28 0.40 -1.26 -2.75 117.98 118.82 2dm2 s PHE 21 Ca 0.23 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.85 2dm2 s PHE 21 Cb 0.01 -1.97 -0.12 0.00 0.51 0.00 0.00 43.02 41.45 2dm2 s PHE 21 CO 0.16 0.04 1.65 -2.00 0.70 0.00 0.00 175.22 175.77 2dm2 s GLU 22 N -4.05 4.13 0.00 0.44 -6.30 0.09 -1.94 118.70 111.07 2dm2 s GLU 22 Ca 0.44 2.57 0.00 0.00 -2.50 0.00 0.00 54.97 55.49 2dm2 s GLU 22 Cb -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 31.03 2dm2 s GLU 22 CO 0.27 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2dm2 n GLY 23 N 3.12 2.88 3.77 -1.50 0.00 0.20 -4.68 105.19 108.97 2dm2 n GLY 23 Ca 0.12 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 4.08 0.65 1.61 -1.94 -0.82 -4.08 119.30 118.80 2dm2 s MET 24 Ca 0.00 2.15 -0.15 0.00 -1.71 0.00 0.00 55.69 55.98 2dm2 s MET 24 Cb 0.00 -2.84 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 2dm2 s MET 24 CO 0.00 -0.40 1.11 -1.25 -0.01 0.00 0.00 175.02 174.48 2dm2 s PRO 25 N -2.12 2.86 0.01 2.03 0.04 -1.26 -3.94 135.00 132.62 2dm2 s PRO 25 Ca 0.55 1.42 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2dm2 s PRO 25 Cb -0.38 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2dm2 s PRO 25 CO 0.49 -1.21 -0.04 0.54 0.04 0.00 0.00 177.00 176.83 2dm2 s VAL 26 N -2.28 0.25 -0.05 -0.36 0.11 -1.07 -4.99 120.40 112.01 2dm2 s VAL 26 Ca 0.68 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2dm2 s VAL 26 Cb -0.21 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2dm2 s VAL 26 CO 0.40 -0.11 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.05 2dm2 s THR 27 N -0.51 1.10 -0.26 5.04 2.01 -1.26 -1.74 115.64 120.02 2dm2 s THR 27 Ca -0.04 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2dm2 s THR 27 Cb -0.04 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.55 2dm2 s THR 27 CO -0.00 0.34 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.85 2dm2 s PHE 28 N 0.42 2.75 -0.10 4.92 0.08 0.30 -4.97 117.98 121.37 2dm2 s PHE 28 Ca -0.09 -2.05 0.01 0.00 0.12 0.00 0.00 56.93 54.92 2dm2 s PHE 28 Cb -0.13 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2dm2 s PHE 28 CO 0.02 -0.83 -0.11 0.99 -0.10 0.00 0.00 175.22 175.19 2dm2 s THR 29 N 1.27 3.25 -0.12 0.64 2.01 -1.26 -1.02 115.64 120.41 2dm2 s THR 29 Ca -0.04 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 2dm2 s THR 29 Cb -0.19 -2.34 0.05 0.00 0.01 0.00 0.00 72.50 70.03 2dm2 s THR 29 CO -0.07 0.55 0.28 0.00 -0.69 0.00 0.00 174.62 174.69 2dm2 s ARG 31 N 1.44 3.20 -0.15 0.00 3.52 -1.26 -3.18 118.95 122.52 2dm2 s ARG 31 Ca -0.08 -0.66 -0.15 0.00 -0.13 0.00 0.00 55.73 54.71 2dm2 s ARG 31 Cb -0.10 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.17 2dm2 s ARG 31 CO -0.09 -1.30 0.33 0.08 -0.81 0.00 0.00 175.30 173.51 2dm2 s VAL 32 N 3.07 5.28 0.59 7.11 1.01 -1.25 -1.47 120.40 134.75 2dm2 s VAL 32 Ca 0.20 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.86 2dm2 s VAL 32 Cb -0.17 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2dm2 s VAL 32 CO 0.15 0.38 0.82 0.00 0.00 0.00 0.00 175.10 176.44 2dm2 s ALA 33 N 0.49 4.29 0.00 5.51 0.00 -1.15 -4.83 121.76 126.06 2dm2 s ALA 33 Ca 0.18 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2dm2 s ALA 33 Cb -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2dm2 s ALA 33 CO 0.05 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2dm2 n GLY 34 N -2.38 3.70 2.88 0.00 0.00 -1.26 -3.84 105.19 104.29 2dm2 n GLY 34 Ca 0.14 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 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 1.08 1.20 1.61 2.20 -1.25 -3.49 114.94 116.29 2dm2 s ASN 35 Ca 0.00 -0.13 -0.19 0.00 -0.94 0.00 0.00 52.86 51.60 2dm2 s ASN 35 Cb 0.00 -0.46 0.29 0.00 -2.00 0.00 0.00 41.25 39.08 2dm2 s ASN 35 CO 0.00 -0.08 1.11 -2.16 -2.94 0.00 0.00 177.10 173.03 2dm2 s PRO 36 N 1.09 -1.23 -0.21 3.55 0.04 -1.26 -4.91 135.00 132.06 2dm2 s PRO 36 Ca -0.08 -0.07 -0.38 0.00 0.04 0.00 0.00 61.00 60.50 2dm2 s PRO 36 Cb -0.14 -1.60 -0.14 0.00 0.04 0.00 0.00 34.50 32.66 2dm2 s PRO 36 CO -0.01 -3.72 1.79 1.63 0.04 0.00 0.00 177.00 176.73 2dm2 n LYS 37 N -4.76 1.50 -2.09 4.56 4.01 -1.23 -4.91 118.16 115.23 2dm2 n LYS 37 Ca 0.13 0.55 -0.34 0.00 -0.51 0.00 0.00 58.31 58.14 2dm2 n LYS 37 Cb 0.59 -2.29 0.02 0.00 -0.51 0.00 0.00 35.03 32.85 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 3.70 3.17 -0.57 1.97 0.04 -1.26 -4.95 135.00 137.10 2dm2 s PRO 38 Ca 0.96 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 63.27 2dm2 s PRO 38 Cb -0.94 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 31.62 2dm2 s PRO 38 CO 0.61 -0.98 1.51 0.15 0.04 0.00 0.00 177.00 178.32 2dm2 s LYS 39 N -3.55 3.17 0.31 4.56 1.02 -0.74 -4.77 119.74 119.74 2dm2 s LYS 39 Ca 0.71 0.48 -0.13 0.00 0.02 0.00 0.00 55.97 57.05 2dm2 s LYS 39 Cb -0.23 -4.18 -0.08 0.00 -0.52 0.00 0.00 37.83 32.82 2dm2 s LYS 39 CO 0.32 -2.09 0.68 0.42 -0.92 0.00 0.00 175.35 173.76 2dm2 s ILE 40 N 6.62 4.77 -0.15 2.17 -1.09 -1.26 -2.20 121.20 130.07 2dm2 s ILE 40 Ca 0.55 0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 59.64 2dm2 s ILE 40 Cb -0.12 -3.63 0.06 0.00 -1.58 0.00 0.00 42.46 37.19 2dm2 s ILE 40 CO 0.24 -0.21 0.34 -0.31 -1.23 0.00 0.00 174.94 173.77 2dm2 s TYR 41 N -2.00 -0.53 -0.04 3.97 2.02 -0.78 -4.97 117.35 115.02 2dm2 s TYR 41 Ca 0.52 1.14 -0.15 0.00 -0.37 0.00 0.00 57.07 58.21 2dm2 s TYR 41 Cb -0.10 0.16 -0.05 0.00 -0.40 0.00 0.00 41.96 41.56 2dm2 s TYR 41 CO 0.21 -0.34 0.40 -1.58 -1.57 0.00 0.00 175.55 172.67 2dm2 s TRP 42 N 1.76 3.66 0.03 2.71 0.52 -1.26 -2.07 118.94 124.28 2dm2 s TRP 42 Ca -0.06 0.92 0.03 0.00 0.02 0.00 0.00 56.10 57.01 2dm2 s TRP 42 Cb -0.10 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 2dm2 s TRP 42 CO -0.11 0.52 -0.09 -0.06 0.02 0.00 0.00 176.95 177.23 2dm2 s PHE 43 N -0.61 0.77 -0.13 -1.98 0.08 -0.49 -3.60 117.98 112.02 2dm2 s PHE 43 Ca 0.23 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 2dm2 s PHE 43 Cb -0.16 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.87 2dm2 s PHE 43 CO 0.12 -0.03 -0.04 0.15 -0.10 0.00 0.00 175.22 175.31 2dm2 s LYS 44 N -1.15 1.20 -1.67 0.44 1.02 0.30 -1.97 119.74 117.91 2dm2 s LYS 44 Ca -0.04 -0.27 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 2dm2 s LYS 44 Cb -0.08 -1.63 0.13 0.00 -0.52 0.00 0.00 37.83 35.73 2dm2 s LYS 44 CO 0.01 -0.36 0.57 -0.40 -0.92 0.00 0.00 175.35 174.24 2dm2 n ASP 45 N 4.98 -1.86 -1.42 2.83 5.68 -1.19 0.52 116.55 126.09 2dm2 n ASP 45 Ca -0.11 -1.10 -0.10 0.00 -0.50 0.00 0.00 54.79 52.98 2dm2 n ASP 45 Cb 0.49 -2.40 0.01 0.00 -1.14 0.00 0.00 41.12 38.08 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dm2 n GLY 46 N -1.60 0.10 2.72 6.12 0.00 -1.26 -5.03 105.19 106.24 2dm2 n GLY 46 Ca -0.04 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.94 0.13 0.96 1.61 -0.14 0.18 -5.15 119.74 112.39 2dm2 s LYS 47 Ca 0.11 0.27 -0.11 0.00 -1.36 0.00 0.00 55.97 54.88 2dm2 s LYS 47 Cb -0.05 -0.59 0.17 0.00 -1.68 0.00 0.00 37.83 35.68 2dm2 s LYS 47 CO 0.14 -0.29 1.11 1.14 -0.76 0.00 0.00 175.35 176.69 2dm2 s GLN 48 N 1.89 0.71 -0.05 1.68 0.00 -1.26 -0.54 119.66 122.10 2dm2 s GLN 48 Ca 0.02 1.34 0.05 0.00 -0.00 0.00 0.00 55.36 56.77 2dm2 s GLN 48 Cb -0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 33.01 31.17 2dm2 s GLN 48 CO -0.03 -2.77 -0.20 0.42 0.00 0.00 0.00 175.29 172.71 2dm2 s ILE 49 N -2.64 1.66 -0.07 3.63 1.01 -1.24 -4.80 121.20 118.75 2dm2 s ILE 49 Ca 0.66 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 2dm2 s ILE 49 Cb -0.23 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2dm2 s ILE 49 CO 0.59 0.47 0.72 -0.55 0.00 0.00 0.00 174.94 176.18 2dm2 s SER 50 N -0.06 7.01 0.42 3.58 0.15 -1.26 -4.94 113.70 118.60 2dm2 s SER 50 Ca -0.03 1.22 0.21 0.00 0.70 0.00 0.00 55.95 58.04 2dm2 s SER 50 Cb -0.12 -2.42 0.89 0.00 -1.71 0.00 0.00 66.02 62.66 2dm2 s SER 50 CO 0.03 -0.14 1.83 1.55 1.20 0.00 0.00 173.24 177.71 2dm2 h PRO 51 N 6.79 0.00 -0.30 5.44 0.13 -2.00 -2.65 132.00 139.42 2dm2 h PRO 51 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2dm2 h PRO 51 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dm2 h PRO 51 CO 0.76 0.29 0.00 1.63 -0.23 0.00 0.00 178.00 180.45 2dm2 n LYS 52 N -3.61 1.08 -3.18 0.86 4.76 -1.26 -4.84 118.16 111.97 2dm2 n LYS 52 Ca -0.01 -0.09 -0.33 0.00 -2.87 0.00 0.00 58.31 55.01 2dm2 n LYS 52 Cb 0.42 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.39 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 -0.72 6.82 -0.06 4.39 0.15 -1.00 -5.00 113.70 118.28 2dm2 s SER 53 Ca 0.02 1.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.86 2dm2 s SER 53 Cb 0.01 -2.36 -0.28 0.00 -1.71 0.00 0.00 66.02 61.68 2dm2 s SER 53 CO 0.01 -0.12 0.62 -0.78 1.20 0.00 0.00 173.24 174.17 2dm2 h ASP 54 N 2.62 0.47 -0.06 5.45 1.82 -1.89 -3.39 116.42 121.44 2dm2 h ASP 54 Ca -0.48 -0.79 0.02 0.00 -0.39 0.00 0.00 57.03 55.39 2dm2 h ASP 54 Cb 1.18 -0.15 -0.05 0.00 0.68 0.00 0.00 39.33 40.98 2dm2 h ASP 54 CO 0.66 1.68 -0.48 -0.74 -1.61 0.00 0.00 179.24 178.75 2dm2 h HIS 55 N 0.08 -1.41 -3.20 0.28 2.76 -1.94 -3.40 115.15 108.32 2dm2 h HIS 55 Ca -0.34 0.05 -0.59 0.00 -2.20 0.00 0.00 60.37 57.29 2dm2 h HIS 55 Cb 2.06 0.62 -0.07 0.00 1.55 0.00 0.00 27.41 31.57 2dm2 h HIS 55 CO 0.08 -0.50 -0.18 0.71 -1.30 0.00 0.00 177.93 176.74 2dm2 s TYR 56 N -5.40 3.60 -0.37 5.26 2.02 -1.26 -4.16 117.35 117.05 2dm2 s TYR 56 Ca -0.14 0.91 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 2dm2 s TYR 56 Cb 0.06 -2.42 0.09 0.00 -0.40 0.00 0.00 41.96 39.29 2dm2 s TYR 56 CO 0.54 0.38 0.12 0.99 -1.57 0.00 0.00 175.55 176.01 2dm2 s THR 57 N -0.12 3.09 -0.25 -0.71 2.01 -0.33 -4.67 115.64 114.66 2dm2 s THR 57 Ca 0.24 -1.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.26 2dm2 s THR 57 Cb -0.16 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2dm2 s THR 57 CO 0.11 -0.49 0.24 -0.63 -0.69 0.00 0.00 174.62 173.16 2dm2 s ILE 58 N 1.15 5.29 -0.07 1.82 1.01 -1.26 -2.23 121.20 126.91 2dm2 s ILE 58 Ca 0.04 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.02 2dm2 s ILE 58 Cb -0.21 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2dm2 s ILE 58 CO -0.04 0.27 -0.08 -1.10 0.00 0.00 0.00 174.94 174.00 2dm2 s GLN 59 N 1.45 1.35 0.03 2.79 -0.21 -1.06 -5.00 119.66 119.02 2dm2 s GLN 59 Ca 0.10 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.26 2dm2 s GLN 59 Cb -0.15 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.58 2dm2 s GLN 59 CO 0.08 -0.08 -0.07 1.03 -2.12 0.00 0.00 175.29 174.13 2dm2 s ARG 60 N 1.01 2.49 0.16 2.91 0.52 -1.26 -2.62 118.95 122.15 2dm2 s ARG 60 Ca -0.09 -0.78 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 2dm2 s ARG 60 Cb -0.15 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2dm2 s ARG 60 CO -0.00 0.58 0.14 0.34 0.02 0.00 0.00 175.30 176.38 2dm2 s ASP 61 N -1.61 5.55 0.47 0.23 2.15 -1.21 -4.93 116.67 117.33 2dm2 s ASP 61 Ca 0.18 -0.11 0.31 0.00 0.43 0.00 0.00 52.55 53.37 2dm2 s ASP 61 Cb -0.11 -1.46 1.41 0.00 -0.30 0.00 0.00 42.92 42.45 2dm2 s ASP 61 CO 0.09 0.08 1.71 -0.07 -0.17 0.00 0.00 175.17 176.81 2dm2 h LEU 62 N 2.47 0.20 -0.63 -1.34 3.38 -2.00 1.03 115.31 118.42 2dm2 h LEU 62 Ca -0.48 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 2dm2 h LEU 62 Cb 1.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2dm2 h LEU 62 CO 0.64 -0.03 -0.49 0.44 0.09 0.00 0.00 178.44 179.09 2dm2 h ASP 63 N 0.14 0.54 0.00 -0.43 3.32 -2.02 -3.47 116.42 114.50 2dm2 h ASP 63 Ca 0.69 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2dm2 h ASP 63 Cb 2.32 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.71 2dm2 h ASP 63 CO -0.21 0.94 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 2dm2 n GLY 64 N 0.11 0.97 3.30 2.75 0.00 0.36 -5.03 105.19 107.66 2dm2 n GLY 64 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.79 4.21 0.31 2.61 2.01 -1.25 -3.80 115.64 117.94 2dm2 s THR 65 Ca 0.00 -1.15 -0.27 0.00 0.31 0.00 0.00 61.69 60.58 2dm2 s THR 65 Cb 0.00 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 2dm2 s THR 65 CO 0.00 -0.33 0.96 0.00 -0.69 0.00 0.00 174.62 174.57 2dm2 s SER 67 N -1.47 0.44 -0.19 0.00 1.04 -1.08 -2.61 113.70 109.83 2dm2 s SER 67 Ca 0.48 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 2dm2 s SER 67 Cb -0.21 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 2dm2 s SER 67 CO 0.27 -0.23 0.04 -0.22 0.98 0.00 0.00 173.24 174.07 2dm2 s LEU 68 N 2.21 3.57 -0.01 2.42 2.96 -0.19 -2.55 118.68 127.09 2dm2 s LEU 68 Ca 0.01 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 2dm2 s LEU 68 Cb -0.12 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2dm2 s LEU 68 CO -0.07 0.13 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.61 2dm2 s HIS 69 N 0.63 1.73 -0.25 5.38 5.65 -0.95 -0.54 115.29 126.94 2dm2 s HIS 69 Ca 0.02 -0.33 -0.02 0.00 0.25 0.00 0.00 55.06 54.98 2dm2 s HIS 69 Cb -0.13 -1.11 0.08 0.00 -1.18 0.00 0.00 32.58 30.23 2dm2 s HIS 69 CO 0.02 -0.03 0.06 0.99 -0.65 0.00 0.00 174.74 175.13 2dm2 s THR 70 N -0.46 0.70 0.48 0.89 2.01 -0.71 -1.18 115.64 117.37 2dm2 s THR 70 Ca 0.07 -0.96 0.15 0.00 0.31 0.00 0.00 61.69 61.27 2dm2 s THR 70 Cb -0.07 -1.34 0.22 0.00 0.01 0.00 0.00 72.50 71.32 2dm2 s THR 70 CO -0.01 -0.42 2.07 0.00 -0.69 0.00 0.00 174.62 175.57 2dm2 h THR 71 N 6.51 1.07 -3.26 -0.82 1.03 -1.88 -2.85 112.91 112.71 2dm2 h THR 71 Ca -0.16 -0.33 -0.49 0.00 -0.01 0.00 0.00 66.41 65.42 2dm2 h THR 71 Cb 1.07 1.17 -0.39 0.00 -1.07 0.00 0.00 68.15 68.92 2dm2 h THR 71 CO 0.40 0.09 -0.77 0.00 -0.01 0.00 0.00 175.52 175.24 2dm2 s ALA 72 N -4.85 0.94 -0.32 0.00 0.00 -1.26 -4.31 121.76 111.96 2dm2 s ALA 72 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 2dm2 s ALA 72 Cb 0.16 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 22.30 2dm2 s ALA 72 CO 0.69 -0.91 0.04 -1.54 0.00 0.00 0.00 175.76 174.03 2dm2 s SER 73 N 1.88 5.03 0.37 0.00 1.04 -1.25 -4.98 113.70 115.78 2dm2 s SER 73 Ca 0.01 -1.28 -0.01 0.00 0.48 0.00 0.00 55.95 55.16 2dm2 s SER 73 Cb -0.15 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 2dm2 s SER 73 CO -0.07 -0.29 0.59 0.42 0.98 0.00 0.00 173.24 174.86 2dm2 s THR 74 N 1.29 5.07 0.40 2.02 -4.23 -1.26 -0.63 115.64 118.29 2dm2 s THR 74 Ca -0.03 -0.34 0.27 0.00 -1.18 0.00 0.00 61.69 60.41 2dm2 s THR 74 Cb -0.20 -3.86 0.43 0.00 1.34 0.00 0.00 72.50 70.21 2dm2 s THR 74 CO -0.00 -0.61 1.50 0.18 -0.54 0.00 0.00 174.62 175.16 2dm2 n LEU 75 N -1.85 0.25 -0.08 4.79 4.77 -1.26 0.14 117.00 123.76 2dm2 n LEU 75 Ca -0.04 1.42 -0.09 0.00 -0.03 0.00 0.00 56.01 57.28 2dm2 n LEU 75 Cb 0.56 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2dm2 n LEU 75 CO 0.49 -1.57 1.00 -0.78 -1.33 0.00 0.00 177.39 175.20 2dm2 h ASP 76 N 0.00 0.34 -0.97 -1.43 1.82 -1.99 -2.58 116.42 111.62 2dm2 h ASP 76 Ca 0.83 -0.01 0.32 0.00 -0.39 0.00 0.00 57.03 57.78 2dm2 h ASP 76 Cb 2.52 -0.09 -0.17 0.00 0.68 0.00 0.00 39.33 42.28 2dm2 h ASP 76 CO -0.55 0.25 0.34 -0.78 -1.61 0.00 0.00 179.24 176.89 2dm2 h ASP 77 N 0.40 0.08 -3.38 2.28 1.82 0.94 -3.40 116.42 115.16 2dm2 h ASP 77 Ca 0.11 0.24 -0.56 0.00 -0.39 0.00 0.00 57.03 56.43 2dm2 h ASP 77 Cb -0.04 0.30 0.18 0.00 0.68 0.00 0.00 39.33 40.45 2dm2 h ASP 77 CO -0.02 -0.30 -0.24 -0.90 -1.61 0.00 0.00 179.24 176.17 2dm2 n ASP 78 N -5.27 -0.66 0.00 2.28 5.75 -0.97 -4.81 116.55 112.86 2dm2 n ASP 78 Ca 0.29 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.69 2dm2 n ASP 78 Cb 0.96 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 1.47 -0.05 2.66 6.12 0.00 -1.26 -5.02 105.19 109.11 2dm2 n GLY 79 Ca 0.11 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 1.93 0.24 1.61 2.20 -1.26 -3.10 114.94 112.55 2dm2 s ASN 80 Ca 0.00 -0.35 -0.23 0.00 -0.94 0.00 0.00 52.86 51.34 2dm2 s ASN 80 Cb 0.00 -0.26 -0.09 0.00 -2.00 0.00 0.00 41.25 38.90 2dm2 s ASN 80 CO 0.00 -0.30 0.80 -0.31 -2.94 0.00 0.00 177.10 174.35 2dm2 s TYR 81 N 2.10 3.72 -0.10 1.54 1.51 -1.05 -3.16 117.35 121.91 2dm2 s TYR 81 Ca 0.03 1.55 -0.02 0.00 -1.01 0.00 0.00 57.07 57.62 2dm2 s TYR 81 Cb -0.14 -2.74 0.04 0.00 -0.11 0.00 0.00 41.96 39.01 2dm2 s TYR 81 CO -0.07 0.34 0.04 0.99 -1.11 0.00 0.00 175.55 175.75 2dm2 s THR 82 N -1.46 0.20 -0.10 -0.71 2.01 -0.83 -1.20 115.64 113.55 2dm2 s THR 82 Ca 0.43 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2dm2 s THR 82 Cb -0.19 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 2dm2 s THR 82 CO 0.23 0.07 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.63 2dm2 s ILE 83 N 2.03 3.46 0.18 1.82 2.07 -1.07 -1.39 121.20 128.30 2dm2 s ILE 83 Ca 0.03 -0.55 0.10 0.00 -1.41 0.00 0.00 60.65 58.83 2dm2 s ILE 83 Cb -0.14 -2.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.98 2dm2 s ILE 83 CO -0.06 0.56 -0.17 -0.32 -1.91 0.00 0.00 174.94 173.04 2dm2 s MET 84 N -0.30 1.78 -0.03 3.50 -2.45 -0.88 -1.94 119.30 118.98 2dm2 s MET 84 Ca 0.03 -1.39 -0.00 0.00 -1.25 0.00 0.00 55.69 53.08 2dm2 s MET 84 Cb -0.13 -2.00 0.03 0.00 1.25 0.00 0.00 34.83 33.98 2dm2 s MET 84 CO 0.03 0.42 0.03 0.00 1.05 0.00 0.00 175.02 176.54 2dm2 s ALA 85 N -1.65 0.18 -0.21 4.11 0.00 -1.03 -1.86 121.76 121.29 2dm2 s ALA 85 Ca 0.22 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 2dm2 s ALA 85 Cb -0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2dm2 s ALA 85 CO 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 175.76 175.69 2dm2 s ALA 86 N 1.32 2.98 0.01 0.00 0.00 -0.93 -3.12 121.76 122.01 2dm2 s ALA 86 Ca -0.06 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2dm2 s ALA 86 Cb -0.13 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 2dm2 s ALA 86 CO -0.03 -0.30 -0.03 1.21 0.00 0.00 0.00 175.76 176.61 2dm2 s ASN 87 N 1.26 0.38 0.00 0.00 3.04 -1.17 -1.79 114.94 116.65 2dm2 s ASN 87 Ca 0.04 -0.16 0.08 0.00 0.04 0.00 0.00 52.86 52.86 2dm2 s ASN 87 Cb -0.15 -0.01 0.50 0.00 -1.54 0.00 0.00 41.25 40.05 2dm2 s ASN 87 CO 0.01 -0.03 0.94 -0.81 -3.04 0.00 0.00 177.10 174.17 2dm2 n PRO 88 N 2.67 0.49 0.00 0.43 -0.04 -1.26 -1.87 135.00 135.42 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 0.58 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.76 3.90 0.00 0.54 6.02 -1.26 -5.09 117.38 120.72 2dm2 n GLN 89 Ca 0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2dm2 n GLN 89 Cb 0.03 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 30.78 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 0.58 3.65 3.36 1.08 0.00 -0.78 -4.38 105.19 108.69 2dm2 n GLY 90 Ca 0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.59 2.65 0.29 1.61 3.52 -1.26 -3.07 118.95 121.10 2dm2 s ARG 91 Ca 0.00 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 2dm2 s ARG 91 Cb 0.00 -2.31 -0.05 0.00 -1.56 0.00 0.00 34.95 31.03 2dm2 s ARG 91 CO 0.00 0.44 0.10 0.96 -0.81 0.00 0.00 175.30 175.99 2dm2 s ILE 92 N -0.29 0.64 0.16 4.11 -4.36 -1.18 -5.03 121.20 115.26 2dm2 s ILE 92 Ca 0.01 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.32 2dm2 s ILE 92 Cb -0.13 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 2dm2 s ILE 92 CO 0.03 0.00 0.25 -0.94 0.24 0.00 0.00 174.94 174.52 2dm2 s SER 93 N -3.37 0.08 0.19 4.36 1.04 -1.26 -2.47 113.70 112.27 2dm2 s SER 93 Ca 0.37 -0.93 -0.12 0.00 0.48 0.00 0.00 55.95 55.74 2dm2 s SER 93 Cb 0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2dm2 s SER 93 CO 0.15 -0.87 0.39 0.00 0.98 0.00 0.00 173.24 173.88 2dm2 s THR 95 N -3.96 0.13 0.21 0.00 2.01 -1.26 -2.58 115.64 110.19 2dm2 s THR 95 Ca 0.17 -1.31 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 2dm2 s THR 95 Cb 0.01 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 2dm2 s THR 95 CO 0.02 -0.60 0.34 -0.83 -0.69 0.00 0.00 174.62 172.86 2dm2 s GLY 96 N -2.90 0.67 -0.04 4.40 0.00 -0.34 -4.62 107.32 104.49 2dm2 s GLY 96 Ca 0.08 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2dm2 s GLY 96 CO -0.08 -0.84 -0.03 -1.60 0.00 0.00 0.00 173.10 170.55 2dm2 s ARG 97 N -4.02 0.65 -0.06 2.90 6.06 -1.26 -2.53 118.95 120.69 2dm2 s ARG 97 Ca 0.23 -0.04 0.02 0.00 -2.50 0.00 0.00 55.73 53.45 2dm2 s ARG 97 Cb 0.02 -0.72 -0.03 0.00 0.06 0.00 0.00 34.95 34.28 2dm2 s ARG 97 CO 0.06 -0.10 -0.11 -0.51 -2.50 0.00 0.00 175.30 172.14 2dm2 s LEU 98 N 0.97 2.93 -0.30 -0.88 1.43 -1.18 -4.13 118.68 117.52 2dm2 s LEU 98 Ca -0.10 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2dm2 s LEU 98 Cb -0.14 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.55 2dm2 s LEU 98 CO -0.01 0.35 -0.02 -0.04 0.23 0.00 0.00 176.35 176.86 2dm2 s MET 99 N -0.74 1.80 -0.18 1.70 -1.94 -1.22 -4.00 119.30 114.72 2dm2 s MET 99 Ca 0.11 -1.61 -0.02 0.00 -1.71 0.00 0.00 55.69 52.47 2dm2 s MET 99 Cb -0.11 -3.03 -0.01 0.00 2.01 0.00 0.00 34.83 33.69 2dm2 s MET 99 CO 0.01 -0.77 -0.09 0.08 -0.01 0.00 0.00 175.02 174.24 2dm2 s VAL 100 N 1.02 3.22 -0.25 -6.03 1.01 -1.26 -1.96 120.40 116.15 2dm2 s VAL 100 Ca 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2dm2 s VAL 100 Cb -0.19 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2dm2 s VAL 100 CO -0.07 0.48 0.11 -1.10 0.00 0.00 0.00 175.10 174.52 2dm2 s GLN 101 N 0.91 3.82 0.20 2.72 -1.52 -1.11 -4.83 119.66 119.85 2dm2 s GLN 101 Ca -0.02 -0.40 -0.33 0.00 -1.95 0.00 0.00 55.36 52.67 2dm2 s GLN 101 Cb -0.15 -3.42 -0.14 0.00 -0.22 0.00 0.00 33.01 29.08 2dm2 s GLN 101 CO 0.00 -0.10 1.37 0.00 -0.25 0.00 0.00 175.29 176.32 2dm2 n ALA 102 N 4.70 0.51 -3.70 6.09 0.00 -1.26 -0.73 120.51 126.12 2dm2 n ALA 102 Ca -0.16 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 2dm2 n ALA 102 Cb 0.52 -2.21 -0.16 0.00 0.00 0.00 0.00 19.45 17.59 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 0.12 0.38 -0.23 0.00 0.11 -1.26 -4.83 120.40 114.70 2dm2 s VAL 103 Ca 0.73 -0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 59.11 2dm2 s VAL 103 Cb -0.73 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2dm2 s VAL 103 CO 0.48 -0.27 0.32 0.54 -3.33 0.00 0.00 175.10 172.85 2dm2 s ASN 104 N 1.92 6.31 -0.16 3.54 4.22 -1.26 -4.93 114.94 124.57 2dm2 s ASN 104 Ca 0.01 0.35 -0.32 0.00 -2.14 0.00 0.00 52.86 50.76 2dm2 s ASN 104 Cb -0.17 -2.19 0.14 0.00 1.28 0.00 0.00 41.25 40.31 2dm2 s ASN 104 CO -0.10 -0.06 1.13 -0.55 -2.04 0.00 0.00 177.10 175.48 2dm2 s SER 105 N 1.18 -0.21 0.10 3.54 0.15 -1.26 -5.18 113.70 112.02 2dm2 s SER 105 Ca 0.15 0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.95 2dm2 s SER 105 Cb -0.15 0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2dm2 s SER 105 CO 0.07 -0.30 -0.18 -0.83 1.20 0.00 0.00 173.24 173.21 2dm2 s GLY 106 N -1.88 1.12 0.12 9.45 0.00 -1.26 -5.12 107.32 109.75 2dm2 s GLY 106 Ca 0.06 -1.20 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 2dm2 s GLY 106 CO -0.05 -1.22 1.36 2.56 0.00 0.00 0.00 173.10 175.75 2dm2 s PRO 107 N -2.03 4.34 -0.88 2.90 0.04 -1.26 -4.98 135.00 133.14 2dm2 s PRO 107 Ca 0.05 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 2dm2 s PRO 107 Cb -0.09 -3.25 0.21 0.00 0.04 0.00 0.00 34.50 31.41 2dm2 s PRO 107 CO 0.04 -0.39 0.87 -1.12 0.04 0.00 0.00 177.00 176.44 2dm2 s SER 108 N 0.98 6.82 -1.49 6.66 0.01 -1.26 -4.56 113.70 120.85 2dm2 s SER 108 Ca 0.63 -2.73 -0.10 0.00 1.31 0.00 0.00 55.95 55.05 2dm2 s SER 108 Cb -0.36 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 63.70 2dm2 s SER 108 CO 0.31 -0.60 0.87 -0.24 0.41 0.00 0.00 173.24 174.00 2dm2 n SER 109 N 4.17 -3.64 -0.57 2.44 2.88 -1.26 -5.38 113.62 112.26 2dm2 n SER 109 Ca 0.17 -0.82 0.07 0.00 -1.33 0.00 0.00 58.87 56.96 2dm2 n SER 109 Cb 0.46 -3.78 0.06 0.00 -0.75 0.00 0.00 64.21 60.20 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42