#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 6.90 -3.68 1.61 3.41 -1.26 -4.72 113.62 115.88 2dm2 n SER 2 Ca 0.00 -3.34 -0.29 0.00 -0.26 0.00 0.00 58.87 54.98 2dm2 n SER 2 Cb 0.00 -1.06 -0.13 0.00 -0.26 0.00 0.00 64.21 62.76 2dm2 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm2 s SER 3 N -0.46 3.49 0.00 4.04 0.01 -1.26 -5.07 113.70 114.46 2dm2 s SER 3 Ca 0.46 -2.72 0.00 0.00 1.31 0.00 0.00 55.95 55.00 2dm2 s SER 3 Cb 0.35 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2dm2 s SER 3 CO -0.06 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2dm2 n GLY 4 N 3.41 3.01 3.75 3.44 0.00 -1.26 -5.16 105.19 112.37 2dm2 n GLY 4 Ca 0.12 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2dm2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm2 s SER 5 N 2.00 4.15 -0.45 1.61 0.15 -1.26 -4.90 113.70 114.99 2dm2 s SER 5 Ca 0.00 1.90 -0.28 0.00 0.70 0.00 0.00 55.95 58.27 2dm2 s SER 5 Cb 0.00 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2dm2 s SER 5 CO 0.00 -2.28 1.80 -0.44 1.20 0.00 0.00 173.24 173.52 2dm2 s SER 6 N -3.24 5.66 -0.09 5.45 0.01 -1.26 -4.85 113.70 115.38 2dm2 s SER 6 Ca 0.62 0.87 -0.23 0.00 1.31 0.00 0.00 55.95 58.52 2dm2 s SER 6 Cb -0.18 -2.53 -0.29 0.00 0.21 0.00 0.00 66.02 63.23 2dm2 s SER 6 CO 0.56 -1.97 0.79 1.23 0.41 0.00 0.00 173.24 174.26 2dm2 h GLY 7 N 14.75 0.21 -1.22 3.44 0.00 -1.95 -3.47 103.07 114.84 2dm2 h GLY 7 Ca -0.30 -0.55 -0.49 0.00 0.00 0.00 0.00 47.33 45.99 2dm2 h GLY 7 CO 1.11 0.48 0.16 0.00 0.00 0.00 0.00 176.54 178.30 2dm2 s ALA 8 N -2.37 0.90 0.29 3.60 0.00 -1.26 -4.20 121.76 118.73 2dm2 s ALA 8 Ca -0.17 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 2dm2 s ALA 8 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2dm2 s ALA 8 CO 0.77 -3.06 1.24 -1.25 0.00 0.00 0.00 175.76 173.45 2dm2 s PRO 9 N -4.60 4.45 -0.02 0.00 0.04 -1.26 -4.40 135.00 129.22 2dm2 s PRO 9 Ca 0.67 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2dm2 s PRO 9 Cb -0.23 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2dm2 s PRO 9 CO 0.60 -0.07 0.01 -0.59 0.04 0.00 0.00 177.00 177.00 2dm2 s PHE 10 N -0.94 0.15 -0.55 0.56 -0.12 -1.24 -4.66 117.98 111.18 2dm2 s PHE 10 Ca 0.49 0.06 -0.27 0.00 -0.05 0.00 0.00 56.93 57.16 2dm2 s PHE 10 Cb -0.37 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 2dm2 s PHE 10 CO 0.47 -0.10 1.96 -0.06 -0.05 0.00 0.00 175.22 177.44 2dm2 s PHE 11 N 0.94 1.56 0.13 3.49 0.08 -1.26 -2.46 117.98 120.45 2dm2 s PHE 11 Ca -0.08 0.92 -0.12 0.00 0.12 0.00 0.00 56.93 57.76 2dm2 s PHE 11 Cb -0.12 -4.00 -0.03 0.00 -0.57 0.00 0.00 43.02 38.30 2dm2 s PHE 11 CO -0.02 -2.44 1.50 0.93 -0.10 0.00 0.00 175.22 175.09 2dm2 h GLU 12 N 15.60 0.86 -2.20 0.44 5.08 -1.28 -3.34 114.58 129.74 2dm2 h GLU 12 Ca -0.27 -0.39 -0.60 0.00 -1.00 0.00 0.00 59.36 57.10 2dm2 h GLU 12 Cb 1.18 -0.02 -0.42 0.00 0.50 0.00 0.00 28.75 30.00 2dm2 h GLU 12 CO 1.18 1.03 -0.57 -0.12 -1.00 0.00 0.00 179.01 179.53 2dm2 n MET 13 N -4.20 2.56 -1.42 2.33 1.56 -1.21 -4.93 117.12 111.80 2dm2 n MET 13 Ca -0.02 -4.68 -0.53 0.00 -0.27 0.00 0.00 57.70 52.21 2dm2 n MET 13 Cb 0.45 -2.26 -0.06 0.00 2.15 0.00 0.00 33.22 33.50 2dm2 n MET 13 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2dm2 n LYS 14 N 0.84 0.00 -1.56 2.12 3.00 -1.26 -4.20 118.16 117.11 2dm2 n LYS 14 Ca 0.30 0.00 -0.56 0.00 -0.00 0.00 0.00 58.31 58.05 2dm2 n LYS 14 Cb 0.41 -1.25 -0.08 0.00 0.00 0.00 0.00 35.03 34.11 2dm2 n LYS 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dm2 n LEU 15 N 1.69 2.08 -4.88 3.14 4.77 -1.26 -4.92 117.00 117.61 2dm2 n LEU 15 Ca 0.19 0.79 -0.29 0.00 -0.03 0.00 0.00 56.01 56.66 2dm2 n LEU 15 Cb 0.15 -1.15 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 2dm2 n LEU 15 CO 0.57 -0.58 0.55 -0.75 -1.33 0.00 0.00 177.39 175.85 2dm2 s LYS 16 N 4.83 3.64 -0.20 3.23 2.20 -1.26 -4.90 119.74 127.28 2dm2 s LYS 16 Ca 1.05 0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 56.96 2dm2 s LYS 16 Cb -1.06 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2dm2 s LYS 16 CO 0.60 -0.29 0.53 -1.01 -0.36 0.00 0.00 175.35 174.82 2dm2 s HIS 17 N -2.79 3.38 -0.07 4.03 3.76 -1.26 -4.75 115.29 117.58 2dm2 s HIS 17 Ca 0.51 0.79 0.05 0.00 -0.15 0.00 0.00 55.06 56.27 2dm2 s HIS 17 Cb -0.10 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 30.90 2dm2 s HIS 17 CO 0.44 -0.10 -0.25 0.71 -0.85 0.00 0.00 174.74 174.69 2dm2 s TYR 18 N 1.62 2.48 -0.17 1.40 2.02 -1.26 -5.11 117.35 118.34 2dm2 s TYR 18 Ca 0.24 -0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 2dm2 s TYR 18 Cb -0.15 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2dm2 s TYR 18 CO 0.10 -0.28 -0.10 0.21 -1.57 0.00 0.00 175.55 173.90 2dm2 s LYS 19 N -0.00 3.36 0.23 -0.62 2.36 -1.26 -3.41 119.74 120.40 2dm2 s LYS 19 Ca -0.09 -0.67 -0.00 0.00 -2.55 0.00 0.00 55.97 52.66 2dm2 s LYS 19 Cb -0.15 -2.77 -0.03 0.00 -1.05 0.00 0.00 37.83 33.82 2dm2 s LYS 19 CO 0.05 0.04 0.20 0.96 1.55 0.00 0.00 175.35 178.15 2dm2 s ILE 20 N 0.82 0.00 0.08 5.43 -4.36 -0.83 -5.01 121.20 117.33 2dm2 s ILE 20 Ca -0.03 -1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 2dm2 s ILE 20 Cb -0.15 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.02 2dm2 s ILE 20 CO 0.01 0.00 0.43 -0.36 0.24 0.00 0.00 174.94 175.25 2dm2 s PHE 21 N -3.98 3.60 -0.21 1.37 0.08 -1.26 -3.00 117.98 114.59 2dm2 s PHE 21 Ca 0.38 0.86 -0.42 0.00 0.12 0.00 0.00 56.93 57.87 2dm2 s PHE 21 Cb 0.05 -2.21 -0.20 0.00 -0.57 0.00 0.00 43.02 40.10 2dm2 s PHE 21 CO 0.15 0.52 1.26 -1.91 -0.10 0.00 0.00 175.22 175.14 2dm2 n GLU 22 N 1.00 0.00 0.00 0.44 0.00 1.00 -0.44 120.64 122.64 2dm2 n GLU 22 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 2dm2 n GLU 22 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.50 2dm2 n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dm2 n GLY 23 N 2.50 3.07 3.65 8.31 0.00 0.56 -4.56 105.19 118.72 2dm2 n GLY 23 Ca 0.24 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 1.78 -1.93 1.61 2.81 0.42 -3.72 117.12 118.09 2dm2 n MET 24 Ca 0.00 0.62 -0.34 0.00 -1.81 0.00 0.00 57.70 56.18 2dm2 n MET 24 Cb 0.00 -2.12 0.03 0.00 -0.71 0.00 0.00 33.22 30.43 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 -1.66 2.99 0.00 0.03 0.04 -1.26 -4.07 135.00 131.07 2dm2 s PRO 25 Ca 0.57 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2dm2 s PRO 25 Cb -0.63 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 2dm2 s PRO 25 CO 0.61 -1.11 0.07 0.54 0.04 0.00 0.00 177.00 177.14 2dm2 s VAL 26 N -2.15 0.08 -0.02 -0.36 0.11 -0.93 -5.01 120.40 112.12 2dm2 s VAL 26 Ca 0.69 -0.68 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2dm2 s VAL 26 Cb -0.22 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2dm2 s VAL 26 CO 0.37 -0.37 0.04 -0.89 -3.33 0.00 0.00 175.10 170.91 2dm2 s THR 27 N -1.22 -0.05 -0.39 5.04 2.01 -1.26 -1.04 115.64 118.73 2dm2 s THR 27 Ca -0.13 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 2dm2 s THR 27 Cb -0.08 -0.09 0.08 0.00 0.01 0.00 0.00 72.50 72.43 2dm2 s THR 27 CO 0.00 0.08 0.18 -0.36 -0.69 0.00 0.00 174.62 173.83 2dm2 s PHE 28 N 0.95 3.41 -0.19 4.92 0.08 0.89 -4.97 117.98 123.08 2dm2 s PHE 28 Ca -0.08 -1.90 -0.08 0.00 0.12 0.00 0.00 56.93 54.98 2dm2 s PHE 28 Cb -0.11 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2dm2 s PHE 28 CO -0.03 -0.88 0.09 0.99 -0.10 0.00 0.00 175.22 175.29 2dm2 s THR 29 N 1.29 5.01 -0.10 0.64 2.01 -1.26 -1.43 115.64 121.79 2dm2 s THR 29 Ca 0.03 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 2dm2 s THR 29 Cb -0.22 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.07 2dm2 s THR 29 CO -0.01 0.46 0.22 0.00 -0.69 0.00 0.00 174.62 174.60 2dm2 s ARG 31 N 1.78 4.01 -0.11 0.00 3.52 -1.26 -3.79 118.95 123.10 2dm2 s ARG 31 Ca -0.04 0.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 2dm2 s ARG 31 Cb -0.11 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 2dm2 s ARG 31 CO -0.08 -0.38 0.10 0.08 -0.81 0.00 0.00 175.30 174.21 2dm2 s VAL 32 N 2.28 5.13 0.52 7.11 1.01 -1.26 -0.69 120.40 134.50 2dm2 s VAL 32 Ca 0.20 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2dm2 s VAL 32 Cb -0.16 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2dm2 s VAL 32 CO 0.10 0.61 0.42 0.00 0.00 0.00 0.00 175.10 176.23 2dm2 s ALA 33 N -0.91 4.36 0.00 5.51 0.00 -1.03 -4.92 121.76 124.77 2dm2 s ALA 33 Ca 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2dm2 s ALA 33 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2dm2 s ALA 33 CO 0.03 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2dm2 n GLY 34 N -1.75 2.46 3.07 0.00 0.00 -1.26 -3.62 105.19 104.09 2dm2 n GLY 34 Ca 0.01 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 0.25 1.14 1.61 4.22 -1.26 -4.34 114.94 116.55 2dm2 s ASN 35 Ca 0.00 -0.59 -0.17 0.00 -2.14 0.00 0.00 52.86 49.96 2dm2 s ASN 35 Cb 0.00 0.18 0.26 0.00 1.28 0.00 0.00 41.25 42.97 2dm2 s ASN 35 CO 0.00 -0.45 1.10 -2.16 -2.04 0.00 0.00 177.10 173.55 2dm2 s PRO 36 N -2.42 -0.70 -0.51 3.55 0.04 -1.26 -4.76 135.00 128.95 2dm2 s PRO 36 Ca -0.07 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 2dm2 s PRO 36 Cb -0.03 -1.64 -0.15 0.00 0.04 0.00 0.00 34.50 32.72 2dm2 s PRO 36 CO -0.04 -3.40 1.77 1.63 0.04 0.00 0.00 177.00 177.00 2dm2 n LYS 37 N -4.57 0.00 -2.25 4.56 5.02 -1.26 -4.82 118.16 114.83 2dm2 n LYS 37 Ca 0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 2dm2 n LYS 37 Cb 0.59 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dm2 s PRO 38 N 5.33 4.42 -0.18 1.97 0.04 -1.26 -4.97 135.00 140.36 2dm2 s PRO 38 Ca 0.95 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.74 2dm2 s PRO 38 Cb -1.07 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 2dm2 s PRO 38 CO 0.45 -0.06 1.40 0.15 0.04 0.00 0.00 177.00 178.98 2dm2 s LYS 39 N -1.73 4.10 0.04 4.56 -0.14 -0.62 -4.72 119.74 121.24 2dm2 s LYS 39 Ca 0.48 1.69 -0.12 0.00 -1.36 0.00 0.00 55.97 56.66 2dm2 s LYS 39 Cb -0.36 -3.87 -0.06 0.00 -1.68 0.00 0.00 37.83 31.86 2dm2 s LYS 39 CO 0.47 -0.89 0.41 0.42 -0.76 0.00 0.00 175.35 175.00 2dm2 s ILE 40 N 4.01 5.06 -0.06 2.17 -1.09 -1.26 -0.51 121.20 129.53 2dm2 s ILE 40 Ca 0.61 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.67 2dm2 s ILE 40 Cb -0.23 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2dm2 s ILE 40 CO 0.21 0.43 0.01 -0.31 -1.23 0.00 0.00 174.94 174.05 2dm2 s TYR 41 N -1.24 0.52 -0.23 3.97 2.02 -1.00 -5.01 117.35 116.37 2dm2 s TYR 41 Ca 0.28 -0.07 -0.14 0.00 -0.37 0.00 0.00 57.07 56.77 2dm2 s TYR 41 Cb -0.15 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 2dm2 s TYR 41 CO 0.16 -0.26 0.33 -1.58 -1.57 0.00 0.00 175.55 172.62 2dm2 s TRP 42 N 1.74 3.33 0.14 2.71 0.52 -1.26 -2.50 118.94 123.62 2dm2 s TRP 42 Ca 0.01 0.46 0.10 0.00 0.02 0.00 0.00 56.10 56.69 2dm2 s TRP 42 Cb -0.13 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 2dm2 s TRP 42 CO -0.04 -0.05 -0.25 -0.06 0.02 0.00 0.00 176.95 176.58 2dm2 s PHE 43 N 1.43 2.19 -0.09 -1.98 0.08 0.63 -3.46 117.98 116.78 2dm2 s PHE 43 Ca 0.15 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.81 2dm2 s PHE 43 Cb -0.15 -1.16 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2dm2 s PHE 43 CO 0.08 0.35 -0.07 0.21 -0.10 0.00 0.00 175.22 175.69 2dm2 s LYS 44 N -2.18 1.32 -0.01 0.44 2.20 0.88 -1.87 119.74 120.51 2dm2 s LYS 44 Ca 0.14 -0.20 -0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2dm2 s LYS 44 Cb -0.09 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.85 2dm2 s LYS 44 CO 0.06 -0.21 0.00 -0.40 -0.36 0.00 0.00 175.35 174.45 2dm2 n ASP 45 N 4.73 -1.00 -0.58 1.43 5.75 -1.19 0.14 116.55 125.83 2dm2 n ASP 45 Ca -0.14 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 2dm2 n ASP 45 Cb 0.50 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dm2 n GLY 46 N -0.50 0.56 3.35 6.12 0.00 -1.26 -5.10 105.19 108.35 2dm2 n GLY 46 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.41 1.11 0.50 1.61 -2.85 0.12 -5.16 119.74 112.66 2dm2 s LYS 47 Ca 0.00 -0.60 -0.07 0.00 -1.00 0.00 0.00 55.97 54.30 2dm2 s LYS 47 Cb 0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 2dm2 s LYS 47 CO 0.00 -0.44 0.83 1.14 0.10 0.00 0.00 175.35 176.97 2dm2 s GLN 48 N -3.63 3.57 -0.11 1.78 0.00 -1.26 -0.08 119.66 119.92 2dm2 s GLN 48 Ca 0.01 0.32 0.02 0.00 -0.00 0.00 0.00 55.36 55.71 2dm2 s GLN 48 Cb 0.01 -2.33 0.01 0.00 0.00 0.00 0.00 33.01 30.71 2dm2 s GLN 48 CO -0.11 -0.26 -0.17 0.42 0.00 0.00 0.00 175.29 175.18 2dm2 s ILE 49 N -2.79 1.61 0.33 3.63 1.01 -1.22 -4.80 121.20 118.97 2dm2 s ILE 49 Ca 0.49 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 2dm2 s ILE 49 Cb -0.10 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.81 2dm2 s ILE 49 CO 0.45 0.46 1.31 -0.55 0.00 0.00 0.00 174.94 176.61 2dm2 s SER 50 N 0.89 6.78 0.06 3.58 0.15 -1.26 -4.95 113.70 118.94 2dm2 s SER 50 Ca -0.08 2.68 -0.19 0.00 0.70 0.00 0.00 55.95 59.06 2dm2 s SER 50 Cb -0.15 -2.65 -0.12 0.00 -1.71 0.00 0.00 66.02 61.38 2dm2 s SER 50 CO -0.01 -0.53 1.37 1.55 1.20 0.00 0.00 173.24 176.82 2dm2 h PRO 51 N 3.44 0.47 -1.42 5.44 0.13 -1.99 -3.12 132.00 134.95 2dm2 h PRO 51 Ca -0.49 -0.25 -0.10 0.00 -0.87 0.00 0.00 66.00 64.30 2dm2 h PRO 51 Cb 1.23 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2dm2 h PRO 51 CO 0.66 0.82 0.13 1.63 -0.23 0.00 0.00 178.00 181.00 2dm2 n LYS 52 N -4.46 1.24 -2.83 0.86 4.01 -1.26 -4.69 118.16 111.03 2dm2 n LYS 52 Ca -0.05 -0.52 -0.40 0.00 -0.51 0.00 0.00 58.31 56.83 2dm2 n LYS 52 Cb 0.40 -1.20 -0.06 0.00 -0.51 0.00 0.00 35.03 33.66 2dm2 n LYS 52 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2dm2 s SER 53 N 1.00 7.51 0.12 4.39 0.15 -1.18 -4.96 113.70 120.72 2dm2 s SER 53 Ca 0.10 1.79 0.05 0.00 0.70 0.00 0.00 55.95 58.59 2dm2 s SER 53 Cb 0.08 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.64 2dm2 s SER 53 CO 0.01 0.11 1.28 -2.24 1.20 0.00 0.00 173.24 173.60 2dm2 h ASP 54 N 4.64 0.07 0.31 5.45 2.03 -1.92 -3.37 116.42 123.63 2dm2 h ASP 54 Ca -0.45 -0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 55.76 2dm2 h ASP 54 Cb 1.20 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2dm2 h ASP 54 CO 0.69 1.03 -0.15 -0.74 -1.03 0.00 0.00 179.24 179.04 2dm2 h HIS 55 N 0.02 -0.38 -3.15 4.15 2.76 -1.96 -3.44 115.15 113.15 2dm2 h HIS 55 Ca -0.03 -0.01 -0.59 0.00 -2.20 0.00 0.00 60.37 57.54 2dm2 h HIS 55 Cb 1.76 0.13 -0.06 0.00 1.55 0.00 0.00 27.41 30.78 2dm2 h HIS 55 CO 0.01 -0.24 -0.17 0.71 -1.30 0.00 0.00 177.93 176.94 2dm2 s TYR 56 N -3.36 3.66 -0.45 5.26 2.02 -1.26 -4.31 117.35 118.92 2dm2 s TYR 56 Ca -0.06 0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 57.57 2dm2 s TYR 56 Cb 0.01 -2.39 0.12 0.00 -0.40 0.00 0.00 41.96 39.29 2dm2 s TYR 56 CO 0.18 0.47 0.27 0.99 -1.57 0.00 0.00 175.55 175.89 2dm2 s THR 57 N -0.48 3.58 -0.49 -0.71 2.01 -1.02 -4.45 115.64 114.08 2dm2 s THR 57 Ca 0.25 -2.07 -0.27 0.00 0.31 0.00 0.00 61.69 59.90 2dm2 s THR 57 Cb -0.16 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 68.96 2dm2 s THR 57 CO 0.13 -0.73 1.04 -0.63 -0.69 0.00 0.00 174.62 173.74 2dm2 s ILE 58 N 1.08 4.31 -0.33 1.82 1.01 -1.26 -3.30 121.20 124.53 2dm2 s ILE 58 Ca 0.08 0.93 -0.03 0.00 0.00 0.00 0.00 60.65 61.63 2dm2 s ILE 58 Cb -0.23 -4.54 0.06 0.00 0.01 0.00 0.00 42.46 37.75 2dm2 s ILE 58 CO -0.03 -0.98 0.07 -1.10 0.00 0.00 0.00 174.94 172.90 2dm2 s GLN 59 N 4.19 2.39 -0.16 2.79 -0.21 -1.16 -5.03 119.66 122.47 2dm2 s GLN 59 Ca 0.42 -1.36 -0.05 0.00 0.02 0.00 0.00 55.36 54.38 2dm2 s GLN 59 Cb -0.09 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 2dm2 s GLN 59 CO 0.28 -0.73 0.02 -0.98 -2.12 0.00 0.00 175.29 171.76 2dm2 s ARG 60 N 1.27 3.73 0.67 2.91 1.70 -1.26 -3.66 118.95 124.30 2dm2 s ARG 60 Ca -0.01 -0.41 -0.09 0.00 -0.47 0.00 0.00 55.73 54.75 2dm2 s ARG 60 Cb -0.20 -3.05 0.15 0.00 -0.57 0.00 0.00 34.95 31.28 2dm2 s ARG 60 CO -0.01 0.33 0.91 -0.25 -1.08 0.00 0.00 175.30 175.21 2dm2 n ASP 61 N 3.31 0.35 -0.02 -2.89 9.92 -1.11 -4.95 116.55 121.16 2dm2 n ASP 61 Ca -0.17 -1.50 -0.15 0.00 -0.53 0.00 0.00 54.79 52.43 2dm2 n ASP 61 Cb 0.53 -0.67 -0.11 0.00 -0.64 0.00 0.00 41.12 40.22 2dm2 n ASP 61 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2dm2 h LEU 62 N 0.00 0.30 -0.99 0.64 4.07 -1.99 -3.27 115.31 114.07 2dm2 h LEU 62 Ca -0.30 -0.74 0.14 0.00 0.08 0.00 0.00 57.88 57.06 2dm2 h LEU 62 Cb 0.88 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.44 2dm2 h LEU 62 CO 0.24 1.00 0.61 -2.24 -1.08 0.00 0.00 178.44 176.97 2dm2 h ASP 63 N -0.37 0.85 0.00 -0.43 3.04 -2.04 -3.45 116.42 114.02 2dm2 h ASP 63 Ca -0.04 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2dm2 h ASP 63 Cb 1.04 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.23 2dm2 h ASP 63 CO 0.06 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.28 2dm2 n GLY 64 N -1.34 0.88 3.30 7.15 0.00 -1.23 -5.02 105.19 108.92 2dm2 n GLY 64 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.32 3.48 -0.06 2.61 2.01 -1.26 -4.43 115.64 117.66 2dm2 s THR 65 Ca 0.00 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 2dm2 s THR 65 Cb 0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 2dm2 s THR 65 CO 0.00 0.26 0.29 0.00 -0.69 0.00 0.00 174.62 174.47 2dm2 s SER 67 N -0.90 -0.51 -0.02 0.00 1.04 -1.24 -3.01 113.70 109.06 2dm2 s SER 67 Ca 0.19 0.91 -0.03 0.00 0.48 0.00 0.00 55.95 57.50 2dm2 s SER 67 Cb -0.14 0.83 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 2dm2 s SER 67 CO 0.09 -0.18 0.14 -0.22 0.98 0.00 0.00 173.24 174.05 2dm2 s LEU 68 N 1.03 4.22 0.08 2.42 2.96 -0.52 -2.97 118.68 125.90 2dm2 s LEU 68 Ca -0.07 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2dm2 s LEU 68 Cb -0.07 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 2dm2 s LEU 68 CO -0.09 0.29 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.85 2dm2 s HIS 69 N -1.24 1.00 -0.19 5.38 5.65 -1.21 -0.08 115.29 124.60 2dm2 s HIS 69 Ca 0.24 -0.61 -0.04 0.00 0.25 0.00 0.00 55.06 54.90 2dm2 s HIS 69 Cb -0.12 -0.56 0.09 0.00 -1.18 0.00 0.00 32.58 30.81 2dm2 s HIS 69 CO 0.15 -0.02 0.23 0.99 -0.65 0.00 0.00 174.74 175.45 2dm2 s THR 70 N -2.13 -0.34 0.29 0.89 2.01 -0.20 -2.44 115.64 113.71 2dm2 s THR 70 Ca 0.02 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2dm2 s THR 70 Cb -0.05 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.87 2dm2 s THR 70 CO 0.00 -0.16 1.71 0.00 -0.69 0.00 0.00 174.62 175.49 2dm2 h THR 71 N 6.31 1.29 -3.23 -0.82 1.03 -1.86 -2.47 112.91 113.15 2dm2 h THR 71 Ca -0.17 -1.41 -0.51 0.00 -0.01 0.00 0.00 66.41 64.32 2dm2 h THR 71 Cb 1.15 1.56 -0.36 0.00 -1.07 0.00 0.00 68.15 69.42 2dm2 h THR 71 CO 0.26 0.43 -0.80 0.00 -0.01 0.00 0.00 175.52 175.40 2dm2 s ALA 72 N -4.28 1.21 -0.36 0.00 0.00 -1.26 -4.26 121.76 112.82 2dm2 s ALA 72 Ca -0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 2dm2 s ALA 72 Cb 0.14 -0.83 0.08 0.00 0.00 0.00 0.00 23.12 22.51 2dm2 s ALA 72 CO 0.78 -0.34 0.12 -1.54 0.00 0.00 0.00 175.76 174.78 2dm2 s SER 73 N 1.57 5.11 0.67 0.00 1.04 -1.24 -4.96 113.70 115.89 2dm2 s SER 73 Ca 0.02 -1.70 -0.02 0.00 0.48 0.00 0.00 55.95 54.73 2dm2 s SER 73 Cb -0.13 -1.78 0.09 0.00 0.10 0.00 0.00 66.02 64.29 2dm2 s SER 73 CO -0.06 -0.42 0.56 1.07 0.98 0.00 0.00 173.24 175.37 2dm2 n THR 74 N 4.61 0.00 0.64 2.02 5.66 -1.26 -0.32 114.28 125.63 2dm2 n THR 74 Ca -0.07 -0.74 0.10 0.00 -3.05 0.00 0.00 64.05 60.30 2dm2 n THR 74 Cb 0.42 -1.28 0.44 0.00 -1.55 0.00 0.00 70.33 68.36 2dm2 n THR 74 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2dm2 n LEU 75 N 0.00 0.19 -0.01 1.09 4.77 -1.26 -3.10 117.00 118.67 2dm2 n LEU 75 Ca 0.09 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.39 2dm2 n LEU 75 Cb 0.30 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 2dm2 n LEU 75 CO 0.21 -0.22 -0.88 0.47 -1.33 0.00 0.00 177.39 175.64 2dm2 n ASP 76 N -1.69 2.10 0.20 -1.43 9.92 -1.26 -4.00 116.55 120.39 2dm2 n ASP 76 Ca 0.05 0.17 0.11 0.00 -0.53 0.00 0.00 54.79 54.58 2dm2 n ASP 76 Cb 0.26 -0.81 0.57 0.00 -0.64 0.00 0.00 41.12 40.50 2dm2 n ASP 76 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2dm2 h ASP 77 N 0.04 0.00 -3.20 -2.24 3.32 -1.91 -3.41 116.42 109.01 2dm2 h ASP 77 Ca -0.44 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.07 2dm2 h ASP 77 Cb 2.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 2dm2 h ASP 77 CO 0.06 0.00 0.56 -0.62 -1.72 0.00 0.00 179.24 177.52 2dm2 s ASP 78 N -3.91 7.13 0.00 6.45 -1.08 -1.25 -4.86 116.67 119.15 2dm2 s ASP 78 Ca -0.02 1.89 0.00 0.00 -0.52 0.00 0.00 52.55 53.90 2dm2 s ASP 78 Cb 0.06 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2dm2 s ASP 78 CO 0.19 -0.46 0.00 0.61 0.52 0.00 0.00 175.17 176.03 2dm2 n GLY 79 N 3.20 -0.46 2.75 2.66 0.00 -1.26 -5.03 105.19 107.05 2dm2 n GLY 79 Ca 0.09 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 1.40 0.05 1.61 0.01 -1.26 -3.42 114.94 109.34 2dm2 s ASN 80 Ca 0.00 -0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 51.76 2dm2 s ASN 80 Cb 0.00 0.31 -0.06 0.00 0.41 0.00 0.00 41.25 41.91 2dm2 s ASN 80 CO 0.00 -0.32 0.57 -0.31 -1.51 0.00 0.00 177.10 175.53 2dm2 s TYR 81 N 2.30 3.78 -0.05 2.20 1.51 -1.15 -3.14 117.35 122.80 2dm2 s TYR 81 Ca 0.06 1.24 0.04 0.00 -1.01 0.00 0.00 57.07 57.40 2dm2 s TYR 81 Cb -0.15 -2.51 -0.00 0.00 -0.11 0.00 0.00 41.96 39.18 2dm2 s TYR 81 CO -0.11 0.54 -0.18 0.99 -1.11 0.00 0.00 175.55 175.68 2dm2 s THR 82 N -0.90 1.50 -0.21 -0.71 2.01 -0.78 0.97 115.64 117.51 2dm2 s THR 82 Ca 0.29 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2dm2 s THR 82 Cb -0.19 -1.29 0.06 0.00 0.01 0.00 0.00 72.50 71.08 2dm2 s THR 82 CO 0.18 0.43 -0.02 -0.51 -0.69 0.00 0.00 174.62 174.01 2dm2 s ILE 83 N 0.12 1.12 -0.18 1.82 2.07 -1.18 -0.27 121.20 124.70 2dm2 s ILE 83 Ca -0.06 -0.89 -0.05 0.00 -1.41 0.00 0.00 60.65 58.24 2dm2 s ILE 83 Cb -0.13 -1.44 -0.03 0.00 0.13 0.00 0.00 42.46 40.99 2dm2 s ILE 83 CO 0.03 -0.09 -0.01 -0.32 -1.91 0.00 0.00 174.94 172.64 2dm2 s MET 84 N 1.59 3.69 0.09 3.50 -2.45 -1.04 -3.43 119.30 121.25 2dm2 s MET 84 Ca -0.03 -0.49 0.01 0.00 -1.25 0.00 0.00 55.69 53.93 2dm2 s MET 84 Cb -0.18 -3.02 -0.04 0.00 1.25 0.00 0.00 34.83 32.84 2dm2 s MET 84 CO -0.07 0.15 0.21 0.00 1.05 0.00 0.00 175.02 176.37 2dm2 s ALA 85 N 0.62 3.93 -0.13 4.11 0.00 -0.97 -2.38 121.76 126.93 2dm2 s ALA 85 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2dm2 s ALA 85 Cb -0.14 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2dm2 s ALA 85 CO 0.02 0.73 -0.15 0.00 0.00 0.00 0.00 175.76 176.36 2dm2 s ALA 86 N -1.57 2.54 -0.05 0.00 0.00 0.34 -3.56 121.76 119.46 2dm2 s ALA 86 Ca 0.34 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 2dm2 s ALA 86 Cb -0.12 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2dm2 s ALA 86 CO 0.27 0.21 0.17 1.21 0.00 0.00 0.00 175.76 177.62 2dm2 s ASN 87 N 0.43 -0.13 0.00 0.00 3.04 -1.21 -1.59 114.94 115.48 2dm2 s ASN 87 Ca -0.11 0.20 0.09 0.00 0.04 0.00 0.00 52.86 53.09 2dm2 s ASN 87 Cb -0.16 0.32 0.55 0.00 -1.54 0.00 0.00 41.25 40.42 2dm2 s ASN 87 CO 0.05 -0.14 0.99 -0.81 -3.04 0.00 0.00 177.10 174.15 2dm2 n PRO 88 N 2.58 0.49 0.00 0.43 -0.04 -1.26 -1.88 135.00 135.31 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 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.80 3.59 0.00 0.54 6.02 -1.26 -5.09 117.38 120.38 2dm2 n GLN 89 Ca 0.07 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2dm2 n GLN 89 Cb 0.03 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 30.76 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 0.55 4.05 3.24 1.08 0.00 -0.79 -4.37 105.19 108.95 2dm2 n GLY 90 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2dm2 n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dm2 s ARG 91 N -2.01 3.11 0.37 1.61 1.70 -1.26 -3.36 118.95 119.10 2dm2 s ARG 91 Ca 0.00 -0.84 0.08 0.00 -0.47 0.00 0.00 55.73 54.50 2dm2 s ARG 91 Cb 0.00 -2.40 -0.05 0.00 -0.57 0.00 0.00 34.95 31.93 2dm2 s ARG 91 CO 0.00 0.13 0.10 0.96 -1.08 0.00 0.00 175.30 175.42 2dm2 s ILE 92 N 0.47 2.55 0.14 4.99 -4.36 -1.23 -5.00 121.20 118.76 2dm2 s ILE 92 Ca -0.14 -1.81 -0.09 0.00 -0.26 0.00 0.00 60.65 58.34 2dm2 s ILE 92 Cb -0.17 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.61 2dm2 s ILE 92 CO 0.06 -0.11 0.25 -0.94 0.24 0.00 0.00 174.94 174.44 2dm2 s SER 93 N -3.81 0.07 0.35 4.36 1.04 -1.26 -2.29 113.70 112.15 2dm2 s SER 93 Ca 0.38 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.83 2dm2 s SER 93 Cb 0.02 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.59 2dm2 s SER 93 CO 0.21 -0.84 0.81 0.00 0.98 0.00 0.00 173.24 174.40 2dm2 s THR 95 N -2.45 0.14 0.30 0.00 2.01 -1.26 -3.12 115.64 111.26 2dm2 s THR 95 Ca 0.16 -1.15 0.06 0.00 0.31 0.00 0.00 61.69 61.07 2dm2 s THR 95 Cb -0.05 -1.04 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 2dm2 s THR 95 CO 0.10 -0.63 -0.03 -0.83 -0.69 0.00 0.00 174.62 172.54 2dm2 s GLY 96 N -2.33 1.93 -0.02 4.40 0.00 0.27 -4.80 107.32 106.77 2dm2 s GLY 96 Ca -0.02 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 42.75 2dm2 s GLY 96 CO -0.06 -1.86 -0.05 -1.60 0.00 0.00 0.00 173.10 169.53 2dm2 s ARG 97 N -3.75 0.59 0.07 2.90 6.06 -1.26 -2.93 118.95 120.62 2dm2 s ARG 97 Ca 0.31 -0.15 0.09 0.00 -2.50 0.00 0.00 55.73 53.49 2dm2 s ARG 97 Cb 0.05 -0.61 -0.03 0.00 0.06 0.00 0.00 34.95 34.42 2dm2 s ARG 97 CO 0.13 0.03 -0.25 -0.51 -2.50 0.00 0.00 175.30 172.20 2dm2 s LEU 98 N 0.36 2.21 -0.33 -0.88 1.43 -1.22 -3.99 118.68 116.26 2dm2 s LEU 98 Ca -0.04 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2dm2 s LEU 98 Cb -0.08 -1.16 0.10 0.00 0.03 0.00 0.00 46.19 45.08 2dm2 s LEU 98 CO -0.00 0.20 0.07 -0.04 0.23 0.00 0.00 176.35 176.81 2dm2 s MET 99 N -1.43 1.15 -0.27 1.70 -1.94 -1.22 -4.43 119.30 112.86 2dm2 s MET 99 Ca 0.11 -1.52 -0.07 0.00 -1.71 0.00 0.00 55.69 52.50 2dm2 s MET 99 Cb -0.10 -2.68 -0.00 0.00 2.01 0.00 0.00 34.83 34.06 2dm2 s MET 99 CO 0.03 -0.95 0.07 0.08 -0.01 0.00 0.00 175.02 174.23 2dm2 s VAL 100 N 1.21 4.00 -0.29 -6.03 1.01 -1.26 -1.96 120.40 117.09 2dm2 s VAL 100 Ca 0.10 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 2dm2 s VAL 100 Cb -0.18 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2dm2 s VAL 100 CO -0.15 0.19 0.27 -1.10 0.00 0.00 0.00 175.10 174.30 2dm2 s GLN 101 N 1.53 3.85 0.07 2.72 -1.52 -1.16 -4.76 119.66 120.40 2dm2 s GLN 101 Ca 0.04 -0.28 -0.36 0.00 -1.95 0.00 0.00 55.36 52.81 2dm2 s GLN 101 Cb -0.16 -3.70 -0.19 0.00 -0.22 0.00 0.00 33.01 28.74 2dm2 s GLN 101 CO 0.02 -0.29 0.91 0.00 -0.25 0.00 0.00 175.29 175.69 2dm2 n ALA 102 N 5.18 -3.19 -3.64 6.09 0.00 -1.26 -0.00 120.51 123.69 2dm2 n ALA 102 Ca -0.12 0.54 -0.25 0.00 0.00 0.00 0.00 53.44 53.61 2dm2 n ALA 102 Cb 0.51 -1.74 -0.17 0.00 0.00 0.00 0.00 19.45 18.05 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dm2 s VAL 103 N -0.31 -0.02 -0.18 0.00 1.01 -1.26 -4.72 120.40 114.92 2dm2 s VAL 103 Ca 0.82 -0.11 -0.36 0.00 0.00 0.00 0.00 61.98 62.32 2dm2 s VAL 103 Cb -1.13 -0.56 -0.13 0.00 0.00 0.00 0.00 36.38 34.56 2dm2 s VAL 103 CO 0.56 -0.20 1.89 -3.20 0.00 0.00 0.00 175.10 174.15 2dm2 n ASN 104 N 5.26 2.97 -4.94 3.32 2.85 -1.26 -4.93 115.26 118.52 2dm2 n ASN 104 Ca -0.07 0.92 -0.19 0.00 -0.11 0.00 0.00 54.58 55.13 2dm2 n ASN 104 Cb 0.49 -1.29 -0.01 0.00 1.24 0.00 0.00 39.78 40.21 2dm2 n ASN 104 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dm2 s SER 105 N 4.44 5.42 0.00 1.20 1.04 -1.26 -5.03 113.70 119.51 2dm2 s SER 105 Ca 0.97 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2dm2 s SER 105 Cb -0.82 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 64.60 2dm2 s SER 105 CO 0.55 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2dm2 n GLY 106 N -1.68 -2.62 3.69 7.32 0.00 -1.26 -4.89 105.19 105.75 2dm2 n GLY 106 Ca 0.05 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.56 4.28 -0.66 1.61 0.04 -1.26 -4.98 135.00 133.47 2dm2 s PRO 107 Ca 0.00 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 2dm2 s PRO 107 Cb 0.00 -3.50 0.11 0.00 0.04 0.00 0.00 34.50 31.15 2dm2 s PRO 107 CO 0.00 -0.56 0.82 0.45 0.04 0.00 0.00 177.00 177.75 2dm2 s SER 108 N 1.75 6.26 0.18 6.66 0.15 -1.26 -4.93 113.70 122.51 2dm2 s SER 108 Ca 0.65 -1.47 -0.17 0.00 0.70 0.00 0.00 55.95 55.65 2dm2 s SER 108 Cb -0.34 -2.33 0.15 0.00 -1.71 0.00 0.00 66.02 61.79 2dm2 s SER 108 CO 0.28 -1.16 1.32 -0.24 1.20 0.00 0.00 173.24 174.65 2dm2 n SER 109 N 6.54 -0.63 0.00 5.45 2.88 -1.26 -5.28 113.62 121.32 2dm2 n SER 109 Ca -0.03 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 2dm2 n SER 109 Cb 0.44 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42