#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 s SER 2 N 0.00 -0.38 0.18 1.61 0.01 -1.26 -5.17 113.70 108.69 2dm3 s SER 2 Ca 0.00 0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 2dm3 s SER 2 Cb 0.00 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2dm3 s SER 2 CO 0.00 -0.51 0.38 -0.94 0.41 0.00 0.00 173.24 172.57 2dm3 s SER 3 N -1.28 6.41 0.28 2.44 1.04 -1.26 -4.98 113.70 116.35 2dm3 s SER 3 Ca -0.13 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2dm3 s SER 3 Cb -0.03 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2dm3 s SER 3 CO 0.07 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dm3 n GLY 4 N -0.44 -1.91 3.01 7.32 0.00 -1.26 -4.85 105.19 107.05 2dm3 n GLY 4 Ca -0.04 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 2dm3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm3 s SER 5 N -4.71 2.63 0.16 1.61 1.04 -1.26 -5.12 113.70 108.05 2dm3 s SER 5 Ca 0.00 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 55.73 2dm3 s SER 5 Cb 0.00 -1.14 -0.08 0.00 0.10 0.00 0.00 66.02 64.90 2dm3 s SER 5 CO 0.00 -0.06 0.73 -0.55 0.98 0.00 0.00 173.24 174.34 2dm3 s SER 6 N 1.51 7.29 0.00 7.02 0.15 -1.26 -4.93 113.70 123.48 2dm3 s SER 6 Ca 0.05 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.25 2dm3 s SER 6 Cb -0.13 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2dm3 s SER 6 CO -0.10 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dm3 n GLY 7 N 1.49 0.13 3.26 9.45 0.00 -1.26 -4.67 105.19 113.58 2dm3 n GLY 7 Ca -0.06 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 2dm3 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dm3 s PHE 8 N -2.00 2.72 0.27 1.61 0.08 -1.24 -4.90 117.98 114.52 2dm3 s PHE 8 Ca 0.00 -1.03 -0.28 0.00 0.12 0.00 0.00 56.93 55.74 2dm3 s PHE 8 Cb 0.00 -1.83 -0.15 0.00 -0.57 0.00 0.00 43.02 40.47 2dm3 s PHE 8 CO 0.00 -0.45 0.91 -2.13 -0.10 0.00 0.00 175.22 173.46 2dm3 n ARG 9 N 3.87 1.07 -2.06 0.44 0.63 -1.26 -3.71 116.66 115.64 2dm3 n ARG 9 Ca -0.19 0.37 -0.40 0.00 -0.92 0.00 0.00 57.85 56.71 2dm3 n ARG 9 Cb 0.52 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.73 2dm3 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dm3 s PRO 10 N -1.40 2.95 -0.12 -0.14 0.04 -1.26 -4.59 135.00 130.48 2dm3 s PRO 10 Ca 0.60 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 2dm3 s PRO 10 Cb -0.75 -4.29 0.02 0.00 0.04 0.00 0.00 34.50 29.52 2dm3 s PRO 10 CO 0.59 -2.33 -0.10 -1.58 0.04 0.00 0.00 177.00 173.62 2dm3 s HIS 11 N 8.00 1.70 -0.44 0.56 2.46 -1.18 -4.22 115.29 122.18 2dm3 s HIS 11 Ca 0.71 -0.88 -0.28 0.00 0.47 0.00 0.00 55.06 55.08 2dm3 s HIS 11 Cb -0.16 -1.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.93 2dm3 s HIS 11 CO 0.26 -0.55 1.81 -0.06 -2.47 0.00 0.00 174.74 173.74 2dm3 s PHE 12 N 1.58 1.77 0.14 3.88 0.08 -1.26 -2.60 117.98 121.57 2dm3 s PHE 12 Ca 0.04 0.72 -0.21 0.00 0.12 0.00 0.00 56.93 57.59 2dm3 s PHE 12 Cb -0.13 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.21 2dm3 s PHE 12 CO -0.08 -2.65 1.66 -0.07 -0.10 0.00 0.00 175.22 173.98 2dm3 h LEU 13 N 14.72 -0.48 -7.69 -0.37 -0.00 -1.38 -3.41 115.31 116.69 2dm3 h LEU 13 Ca -0.30 0.10 -0.42 0.00 -0.00 0.00 0.00 57.88 57.25 2dm3 h LEU 13 Cb 1.17 0.24 -0.35 0.00 -0.00 0.00 0.00 40.66 41.72 2dm3 h LEU 13 CO 1.10 -0.19 -0.77 -1.58 -0.00 0.00 0.00 178.44 177.00 2dm3 s GLN 14 N -6.15 0.84 0.11 1.13 2.00 -1.25 -5.02 119.66 111.33 2dm3 s GLN 14 Ca -0.14 -0.08 0.09 0.00 -2.00 0.00 0.00 55.36 53.23 2dm3 s GLN 14 Cb 0.11 -0.92 -0.04 0.00 0.80 0.00 0.00 33.01 32.96 2dm3 s GLN 14 CO 0.68 -0.13 -0.19 0.00 -0.50 0.00 0.00 175.29 175.15 2dm3 s ALA 15 N 1.15 2.63 1.02 1.58 0.00 -1.26 -3.18 121.76 123.70 2dm3 s ALA 15 Ca -0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 2dm3 s ALA 15 Cb -0.14 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.39 2dm3 s ALA 15 CO -0.01 0.58 0.09 -0.35 0.00 0.00 0.00 175.76 176.08 2dm3 n PRO 16 N 0.90 -1.20 0.00 0.00 -0.04 -1.26 -5.09 135.00 128.31 2dm3 n PRO 16 Ca -0.16 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2dm3 n PRO 16 Cb 0.53 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2dm3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm3 n GLY 17 N 1.83 4.58 3.22 0.55 0.00 -1.26 -5.00 105.19 109.10 2dm3 n GLY 17 Ca 0.01 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dm3 s ASP 18 N 1.02 5.21 0.35 1.61 1.47 -1.26 -3.40 116.67 121.68 2dm3 s ASP 18 Ca 0.00 -1.36 0.07 0.00 1.18 0.00 0.00 52.55 52.44 2dm3 s ASP 18 Cb 0.00 -1.83 -0.02 0.00 -0.34 0.00 0.00 42.92 40.73 2dm3 s ASP 18 CO 0.00 -0.36 0.34 -0.76 0.68 0.00 0.00 175.17 175.07 2dm3 s LEU 19 N 1.32 3.64 -0.19 2.11 1.43 -1.22 -5.00 118.68 120.76 2dm3 s LEU 19 Ca -0.01 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2dm3 s LEU 19 Cb -0.20 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 43.77 2dm3 s LEU 19 CO 0.00 -0.42 0.01 -0.89 0.23 0.00 0.00 176.35 175.28 2dm3 s THR 20 N -2.30 0.76 -0.12 5.49 2.01 -1.26 -2.05 115.64 118.17 2dm3 s THR 20 Ca 0.43 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2dm3 s THR 20 Cb -0.06 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.31 2dm3 s THR 20 CO 0.28 -0.11 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.26 2dm3 s VAL 21 N 1.76 1.46 0.03 3.82 1.01 -0.77 -5.01 120.40 122.70 2dm3 s VAL 21 Ca -0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2dm3 s VAL 21 Cb -0.17 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 2dm3 s VAL 21 CO -0.07 0.44 1.42 -1.58 0.00 0.00 0.00 175.10 175.30 2dm3 s GLN 22 N 1.15 4.28 0.14 2.72 0.74 -1.26 -2.67 119.66 124.76 2dm3 s GLN 22 Ca -0.03 2.02 -0.22 0.00 0.05 0.00 0.00 55.36 57.18 2dm3 s GLN 22 Cb -0.14 -3.51 -0.13 0.00 1.10 0.00 0.00 33.01 30.33 2dm3 s GLN 22 CO -0.04 -0.56 0.42 -1.91 -0.55 0.00 0.00 175.29 172.65 2dm3 n GLU 23 N 5.10 0.00 -1.57 1.67 2.13 0.18 -1.93 120.64 126.22 2dm3 n GLU 23 Ca 0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.94 2dm3 n GLU 23 Cb 0.43 -0.79 -0.00 0.00 0.27 0.00 0.00 31.44 31.35 2dm3 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm3 n GLY 24 N 1.49 0.38 3.56 8.31 0.00 -0.33 -4.35 105.19 114.26 2dm3 n GLY 24 Ca 0.14 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2dm3 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 25 N -3.16 1.88 0.01 1.61 -0.14 -0.81 -4.73 119.74 114.40 2dm3 s LYS 25 Ca 0.00 -2.11 -0.27 0.00 -1.36 0.00 0.00 55.97 52.23 2dm3 s LYS 25 Cb 0.00 -1.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.02 2dm3 s LYS 25 CO 0.00 -0.26 0.83 -1.17 -0.76 0.00 0.00 175.35 173.99 2dm3 s LEU 26 N -3.63 4.40 -0.33 3.17 1.98 -1.26 -3.24 118.68 119.77 2dm3 s LEU 26 Ca 0.27 1.48 0.01 0.00 -2.89 0.00 0.00 54.13 53.01 2dm3 s LEU 26 Cb 0.06 -3.33 0.10 0.00 0.66 0.00 0.00 46.19 43.68 2dm3 s LEU 26 CO 0.13 -0.11 0.08 0.00 -1.89 0.00 0.00 176.35 174.57 2dm3 s ARG 28 N 1.26 3.37 0.03 0.00 0.52 -1.26 -1.08 118.95 121.79 2dm3 s ARG 28 Ca 0.11 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2dm3 s ARG 28 Cb -0.18 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 2dm3 s ARG 28 CO -0.17 0.64 -0.08 -1.64 0.02 0.00 0.00 175.30 174.07 2dm3 s MET 29 N -2.19 0.55 -0.04 3.54 -1.94 -1.22 -4.99 119.30 113.01 2dm3 s MET 29 Ca 0.30 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.68 2dm3 s MET 29 Cb -0.13 -0.40 0.01 0.00 2.01 0.00 0.00 34.83 36.32 2dm3 s MET 29 CO 0.22 0.09 -0.11 0.16 -0.01 0.00 0.00 175.02 175.37 2dm3 s ASP 30 N -1.19 1.54 -0.22 3.03 -4.77 -1.26 -3.74 116.67 110.07 2dm3 s ASP 30 Ca -0.06 -0.25 -0.11 0.00 -3.30 0.00 0.00 52.55 48.84 2dm3 s ASP 30 Cb -0.08 -0.56 0.08 0.00 -1.09 0.00 0.00 42.92 41.27 2dm3 s ASP 30 CO 0.00 0.06 0.51 0.00 0.70 0.00 0.00 175.17 176.44 2dm3 s LYS 32 N 1.81 2.78 -0.04 0.00 2.20 -1.19 -2.46 119.74 122.85 2dm3 s LYS 32 Ca -0.08 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 2dm3 s LYS 32 Cb -0.08 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.63 2dm3 s LYS 32 CO -0.15 0.65 0.06 0.54 -0.36 0.00 0.00 175.35 176.09 2dm3 s VAL 33 N -0.93 -0.08 -0.08 4.02 0.11 -1.26 -0.89 120.40 121.30 2dm3 s VAL 33 Ca 0.15 0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 59.33 2dm3 s VAL 33 Cb -0.11 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 2dm3 s VAL 33 CO 0.05 0.11 0.34 -0.55 -3.33 0.00 0.00 175.10 171.71 2dm3 s SER 34 N 1.40 6.62 0.00 3.54 0.15 -1.07 -4.81 113.70 119.53 2dm3 s SER 34 Ca -0.05 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2dm3 s SER 34 Cb -0.13 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2dm3 s SER 34 CO -0.04 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2dm3 n GLY 35 N 2.42 1.65 2.90 9.45 0.00 -1.26 -3.08 105.19 117.26 2dm3 n GLY 35 Ca -0.14 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 2dm3 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm3 s LEU 36 N 0.00 0.19 0.00 0.99 0.20 -1.24 -4.06 118.68 114.75 2dm3 s LEU 36 Ca 0.00 0.36 0.00 0.00 0.69 0.00 0.00 54.13 55.18 2dm3 s LEU 36 Cb 0.00 0.38 0.00 0.00 -0.43 0.00 0.00 46.19 46.14 2dm3 s LEU 36 CO 0.00 -0.21 0.00 -0.81 -0.29 0.00 0.00 176.35 175.04 2dm3 n PRO 37 N 4.90 -0.38 -1.68 0.98 -0.04 -1.26 -3.61 135.00 133.91 2dm3 n PRO 37 Ca -0.13 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.84 2dm3 n PRO 37 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 2dm3 n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2dm3 n THR 38 N -1.88 0.36 -2.15 0.52 -1.04 -1.26 -4.82 114.28 104.02 2dm3 n THR 38 Ca 0.00 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 2dm3 n THR 38 Cb 0.00 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 66.84 2dm3 n THR 38 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2dm3 s PRO 39 N 2.96 4.18 -0.46 -2.82 0.04 -1.26 -4.90 135.00 132.74 2dm3 s PRO 39 Ca 0.89 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 63.64 2dm3 s PRO 39 Cb -0.75 -3.92 0.02 0.00 0.04 0.00 0.00 34.50 29.90 2dm3 s PRO 39 CO 0.49 -0.82 1.23 -0.51 0.04 0.00 0.00 177.00 177.43 2dm3 s ASP 40 N 2.94 6.52 0.20 6.66 1.01 -0.45 -4.76 116.67 128.79 2dm3 s ASP 40 Ca 0.67 0.57 0.10 0.00 0.71 0.00 0.00 52.55 54.60 2dm3 s ASP 40 Cb -0.29 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.05 2dm3 s ASP 40 CO 0.25 -1.33 -0.14 -1.48 0.21 0.00 0.00 175.17 172.68 2dm3 s LEU 41 N 4.81 2.81 -0.01 1.23 2.34 -1.26 -0.24 118.68 128.36 2dm3 s LEU 41 Ca 0.52 -0.70 0.01 0.00 0.06 0.00 0.00 54.13 54.03 2dm3 s LEU 41 Cb -0.09 -1.48 -0.00 0.00 -0.56 0.00 0.00 46.19 44.06 2dm3 s LEU 41 CO 0.32 0.10 -0.04 -0.55 -1.06 0.00 0.00 176.35 175.11 2dm3 s SER 42 N -2.89 0.55 0.23 1.48 0.15 -1.17 -4.97 113.70 107.08 2dm3 s SER 42 Ca 0.24 -0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.64 2dm3 s SER 42 Cb -0.08 -0.09 -0.08 0.00 -1.71 0.00 0.00 66.02 64.06 2dm3 s SER 42 CO 0.14 0.04 0.69 0.26 1.20 0.00 0.00 173.24 175.57 2dm3 s TRP 43 N 0.01 3.59 -0.03 3.44 0.52 -1.26 -3.00 118.94 122.21 2dm3 s TRP 43 Ca 0.00 1.29 0.01 0.00 0.02 0.00 0.00 56.10 57.42 2dm3 s TRP 43 Cb -0.03 -2.55 0.02 0.00 -1.15 0.00 0.00 33.47 29.76 2dm3 s TRP 43 CO -0.00 0.31 -0.02 -0.65 0.02 0.00 0.00 176.95 176.61 2dm3 s GLN 44 N -2.16 0.44 -0.16 4.98 -0.21 -1.21 -2.12 119.66 119.23 2dm3 s GLN 44 Ca 0.44 -0.00 0.01 0.00 0.02 0.00 0.00 55.36 55.83 2dm3 s GLN 44 Cb -0.15 -0.55 0.02 0.00 1.00 0.00 0.00 33.01 33.33 2dm3 s GLN 44 CO 0.20 -0.09 -0.20 -1.17 -2.12 0.00 0.00 175.29 171.91 2dm3 s LEU 45 N 0.82 2.08 -1.30 2.90 2.96 0.16 -2.26 118.68 124.05 2dm3 s LEU 45 Ca -0.09 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.15 2dm3 s LEU 45 Cb -0.12 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.14 2dm3 s LEU 45 CO -0.01 0.02 1.12 -0.67 -1.32 0.00 0.00 176.35 175.48 2dm3 n ASP 46 N 4.47 -4.75 -3.05 3.68 -0.08 -1.26 -2.35 116.55 113.21 2dm3 n ASP 46 Ca -0.20 -0.57 -0.20 0.00 -1.51 0.00 0.00 54.79 52.31 2dm3 n ASP 46 Cb 0.50 -5.06 0.06 0.00 2.34 0.00 0.00 41.12 38.97 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm3 n GLY 47 N -1.68 -0.31 3.29 0.27 0.00 -1.26 -5.01 105.19 100.48 2dm3 n GLY 47 Ca -0.10 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2dm3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 48 N -6.05 0.77 -0.39 1.61 1.02 -0.99 -5.12 119.74 110.60 2dm3 s LYS 48 Ca 0.47 -0.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.98 2dm3 s LYS 48 Cb -0.21 0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 2dm3 s LYS 48 CO 0.58 -0.23 1.73 -1.25 -0.92 0.00 0.00 175.35 175.26 2dm3 s PRO 49 N -1.64 3.28 -0.14 -1.68 0.04 -1.26 0.41 135.00 134.00 2dm3 s PRO 49 Ca -0.11 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 61.85 2dm3 s PRO 49 Cb -0.03 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.31 2dm3 s PRO 49 CO 0.03 -1.93 0.97 0.54 0.04 0.00 0.00 177.00 176.65 2dm3 s VAL 50 N 6.91 4.79 0.10 -0.36 0.11 -0.90 -4.88 120.40 126.18 2dm3 s VAL 50 Ca 0.74 1.95 0.03 0.00 -2.93 0.00 0.00 61.98 61.77 2dm3 s VAL 50 Cb -0.19 -4.27 -0.04 0.00 -1.53 0.00 0.00 36.38 30.35 2dm3 s VAL 50 CO 0.31 -0.02 0.13 0.00 -3.33 0.00 0.00 175.10 172.19 2dm3 s ARG 51 N 2.25 3.01 0.17 1.54 1.70 -1.26 -4.68 118.95 121.67 2dm3 s ARG 51 Ca 0.45 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 2dm3 s ARG 51 Cb -0.17 -2.77 -0.08 0.00 -0.57 0.00 0.00 34.95 31.36 2dm3 s ARG 51 CO 0.15 0.55 1.32 -1.25 -1.08 0.00 0.00 175.30 174.98 2dm3 s PRO 52 N -2.66 4.37 0.25 3.89 0.04 -1.26 -4.82 135.00 134.81 2dm3 s PRO 52 Ca 0.31 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2dm3 s PRO 52 Cb -0.12 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2dm3 s PRO 52 CO 0.24 -0.30 0.26 -3.47 0.04 0.00 0.00 177.00 173.78 2dm3 n ASP 53 N 3.01 -0.70 -0.33 6.66 2.03 0.26 -4.93 116.55 122.54 2dm3 n ASP 53 Ca 0.08 -2.55 0.25 0.00 0.52 0.00 0.00 54.79 53.09 2dm3 n ASP 53 Cb 0.43 1.47 0.49 0.00 -0.72 0.00 0.00 41.12 42.80 2dm3 n ASP 53 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dm3 h SER 54 N 1.50 0.45 0.01 1.67 0.02 -1.95 -1.87 113.55 113.38 2dm3 h SER 54 Ca -0.18 0.21 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 2dm3 h SER 54 Cb 0.89 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2dm3 h SER 54 CO 0.26 -0.21 -1.27 0.00 -1.14 0.00 0.00 176.83 174.48 2dm3 h ALA 55 N 1.88 0.27 -1.60 3.77 0.00 -1.89 -3.45 119.26 118.24 2dm3 h ALA 55 Ca 0.76 -1.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 2dm3 h ALA 55 Cb 1.79 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 20.24 2dm3 h ALA 55 CO -0.65 0.71 1.00 -1.01 0.00 0.00 0.00 179.25 179.31 2dm3 s HIS 56 N -2.37 2.55 -0.32 0.00 3.76 -0.70 -1.53 115.29 116.68 2dm3 s HIS 56 Ca -0.28 0.45 0.01 0.00 -0.15 0.00 0.00 55.06 55.08 2dm3 s HIS 56 Cb 0.06 -4.49 0.07 0.00 1.11 0.00 0.00 32.58 29.34 2dm3 s HIS 56 CO 0.60 -1.66 0.02 0.21 -0.85 0.00 0.00 174.74 173.06 2dm3 s LYS 57 N 5.03 2.08 -0.23 1.40 2.20 0.45 0.90 119.74 131.57 2dm3 s LYS 57 Ca 0.46 -1.53 -0.17 0.00 -0.36 0.00 0.00 55.97 54.37 2dm3 s LYS 57 Cb -0.08 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2dm3 s LYS 57 CO 0.26 -0.76 0.46 -1.64 -0.36 0.00 0.00 175.35 173.31 2dm3 s MET 58 N 1.11 4.11 0.20 4.03 -1.94 -1.26 -1.80 119.30 123.75 2dm3 s MET 58 Ca -0.00 0.26 -0.01 0.00 -1.71 0.00 0.00 55.69 54.24 2dm3 s MET 58 Cb -0.20 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 2dm3 s MET 58 CO -0.04 -0.21 0.39 -0.51 -0.01 0.00 0.00 175.02 174.63 2dm3 s LEU 59 N 1.85 4.23 -0.25 -0.03 1.02 -0.51 -5.00 118.68 120.00 2dm3 s LEU 59 Ca 0.20 0.39 -0.01 0.00 0.02 0.00 0.00 54.13 54.74 2dm3 s LEU 59 Cb -0.15 -3.16 0.07 0.00 0.02 0.00 0.00 46.19 42.97 2dm3 s LEU 59 CO 0.09 -0.04 0.03 -0.69 0.02 0.00 0.00 176.35 175.76 2dm3 s VAL 60 N -1.87 1.05 0.64 -1.59 1.01 -1.26 -3.26 120.40 115.13 2dm3 s VAL 60 Ca 0.38 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 2dm3 s VAL 60 Cb -0.11 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2dm3 s VAL 60 CO 0.29 -0.34 1.04 -0.13 0.00 0.00 0.00 175.10 175.96 2dm3 s ARG 61 N 1.58 3.35 0.00 2.72 1.81 0.80 -5.00 118.95 124.21 2dm3 s ARG 61 Ca 0.01 0.86 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 2dm3 s ARG 61 Cb -0.18 -2.05 0.00 0.00 -0.45 0.00 0.00 34.95 32.28 2dm3 s ARG 61 CO -0.13 -0.77 0.00 -1.91 -0.68 0.00 0.00 175.30 171.81 2dm3 n GLU 62 N -2.81 0.00 -0.39 3.54 4.07 -1.26 -3.99 120.64 119.80 2dm3 n GLU 62 Ca 0.07 0.33 0.32 0.00 -0.06 0.00 0.00 57.16 57.82 2dm3 n GLU 62 Cb 0.54 -0.83 0.52 0.00 -0.06 0.00 0.00 31.44 31.60 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2dm3 n ASN 63 N -1.52 0.11 0.00 4.31 3.02 -1.26 -4.57 115.26 115.35 2dm3 n ASN 63 Ca 0.00 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 2dm3 n ASN 63 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm3 n GLY 64 N -1.46 0.45 3.49 7.41 0.00 -1.26 -5.08 105.19 108.75 2dm3 n GLY 64 Ca 0.30 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2dm3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm3 s VAL 65 N 0.00 0.00 0.25 1.61 1.01 -1.26 -4.05 120.40 117.96 2dm3 s VAL 65 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.07 2dm3 s VAL 65 Cb 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2dm3 s VAL 65 CO 0.00 -0.01 -0.16 -1.00 0.00 0.00 0.00 175.10 173.94 2dm3 s HIS 66 N 0.16 2.42 -0.19 5.22 3.76 -1.03 -0.14 115.29 125.48 2dm3 s HIS 66 Ca -0.01 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.53 2dm3 s HIS 66 Cb -0.04 -1.10 0.09 0.00 1.11 0.00 0.00 32.58 32.64 2dm3 s HIS 66 CO 0.02 0.63 0.40 -1.12 -0.85 0.00 0.00 174.74 173.82 2dm3 s SER 67 N -3.29 -0.22 -0.56 1.40 0.01 -1.20 -2.84 113.70 106.99 2dm3 s SER 67 Ca 0.28 0.95 -0.16 0.00 1.31 0.00 0.00 55.95 58.33 2dm3 s SER 67 Cb -0.06 1.25 0.13 0.00 0.21 0.00 0.00 66.02 67.55 2dm3 s SER 67 CO 0.15 -0.23 0.54 -0.22 0.41 0.00 0.00 173.24 173.89 2dm3 s LEU 68 N 2.51 6.13 -0.06 2.44 2.96 -1.24 -1.42 118.68 129.99 2dm3 s LEU 68 Ca -0.02 -1.80 -0.09 0.00 -0.22 0.00 0.00 54.13 52.00 2dm3 s LEU 68 Cb -0.12 -2.22 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 2dm3 s LEU 68 CO -0.12 -0.87 0.24 -0.63 -1.32 0.00 0.00 176.35 173.64 2dm3 s ILE 69 N 1.65 5.34 -0.20 6.68 1.01 -0.74 -3.41 121.20 131.52 2dm3 s ILE 69 Ca 0.05 0.37 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 2dm3 s ILE 69 Cb -0.28 -3.52 0.06 0.00 0.01 0.00 0.00 42.46 38.73 2dm3 s ILE 69 CO 0.03 0.56 0.05 -0.63 0.00 0.00 0.00 174.94 174.94 2dm3 s ILE 70 N -1.10 0.46 -0.23 2.92 1.01 -0.24 -0.41 121.20 123.62 2dm3 s ILE 70 Ca 0.20 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 2dm3 s ILE 70 Cb -0.14 -1.02 0.09 0.00 0.01 0.00 0.00 42.46 41.40 2dm3 s ILE 70 CO 0.09 -0.26 0.51 -0.70 0.00 0.00 0.00 174.94 174.58 2dm3 s GLU 71 N 1.88 0.46 1.24 2.79 -6.30 -0.58 -2.24 118.70 115.95 2dm3 s GLU 71 Ca 0.00 1.09 -0.21 0.00 -2.50 0.00 0.00 54.97 53.35 2dm3 s GLU 71 Cb -0.17 0.31 0.31 0.00 0.00 0.00 0.00 34.13 34.58 2dm3 s GLU 71 CO -0.10 -0.20 1.11 -1.25 0.02 0.00 0.00 175.26 174.85 2dm3 s PRO 72 N 2.16 -1.57 -0.06 4.30 0.04 -1.26 -4.18 135.00 134.44 2dm3 s PRO 72 Ca -0.06 -0.19 0.02 0.00 0.04 0.00 0.00 61.00 60.81 2dm3 s PRO 72 Cb -0.10 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 2dm3 s PRO 72 CO -0.15 -3.91 -0.10 0.08 0.04 0.00 0.00 177.00 172.95 2dm3 s VAL 73 N -3.02 3.45 0.32 -0.36 1.01 -1.20 -4.84 120.40 115.77 2dm3 s VAL 73 Ca 0.72 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.20 2dm3 s VAL 73 Cb -0.08 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2dm3 s VAL 73 CO 0.56 0.59 0.03 0.42 0.00 0.00 0.00 175.10 176.69 2dm3 s THR 74 N -0.79 2.86 -1.00 3.92 -4.23 -1.26 -1.19 115.64 113.95 2dm3 s THR 74 Ca 0.12 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 58.81 2dm3 s THR 74 Cb -0.11 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.99 2dm3 s THR 74 CO 0.01 -0.24 1.32 -0.24 -0.54 0.00 0.00 174.62 174.94 2dm3 n SER 75 N -0.97 0.00 0.07 3.99 2.88 -1.26 -1.55 113.62 116.78 2dm3 n SER 75 Ca -0.04 0.50 0.06 0.00 -1.33 0.00 0.00 58.87 58.06 2dm3 n SER 75 Cb 0.61 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 2dm3 n SER 75 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2dm3 n ARG 76 N -1.50 0.61 0.29 -1.46 1.85 -1.26 -3.85 116.66 111.35 2dm3 n ARG 76 Ca 0.02 0.16 0.19 0.00 -1.00 0.00 0.00 57.85 57.22 2dm3 n ARG 76 Cb 0.12 -1.81 0.80 0.00 -1.05 0.00 0.00 32.46 30.52 2dm3 n ARG 76 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2dm3 h ASP 77 N 0.00 0.00 -3.37 2.89 3.32 -1.68 -3.42 116.42 114.16 2dm3 h ASP 77 Ca -0.07 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.40 2dm3 h ASP 77 Cb 1.26 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.74 2dm3 h ASP 77 CO 0.02 0.00 0.82 0.00 -1.72 0.00 0.00 179.24 178.36 2dm3 s ALA 78 N -3.77 3.46 0.00 3.45 0.00 -1.25 -4.89 121.76 118.75 2dm3 s ALA 78 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2dm3 s ALA 78 Cb 0.10 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2dm3 s ALA 78 CO 0.52 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2dm3 n GLY 79 N 4.02 1.28 3.11 0.00 0.00 -1.22 -4.99 105.19 107.38 2dm3 n GLY 79 Ca 0.11 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2dm3 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm3 s ILE 80 N -0.57 3.31 -0.57 -0.61 -1.09 -1.26 -3.09 121.20 117.33 2dm3 s ILE 80 Ca 0.00 -2.17 -0.28 0.00 -2.23 0.00 0.00 60.65 55.97 2dm3 s ILE 80 Cb 0.00 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2dm3 s ILE 80 CO 0.00 -0.71 1.26 -0.31 -1.23 0.00 0.00 174.94 173.95 2dm3 s TYR 81 N 0.99 2.51 -0.46 3.97 2.02 -1.18 -4.13 117.35 121.06 2dm3 s TYR 81 Ca 0.09 0.43 -0.14 0.00 -0.37 0.00 0.00 57.07 57.08 2dm3 s TYR 81 Cb -0.22 -4.48 0.07 0.00 -0.40 0.00 0.00 41.96 36.93 2dm3 s TYR 81 CO -0.04 -1.72 0.37 0.99 -1.57 0.00 0.00 175.55 173.58 2dm3 s THR 82 N 5.28 5.01 0.21 -0.71 2.01 -0.96 -3.04 115.64 123.44 2dm3 s THR 82 Ca 0.46 -1.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2dm3 s THR 82 Cb -0.08 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2dm3 s THR 82 CO 0.25 -0.57 0.43 0.00 -0.69 0.00 0.00 174.62 174.05 2dm3 s ILE 84 N -1.86 0.03 -0.52 0.00 1.01 -1.16 -2.01 121.20 116.69 2dm3 s ILE 84 Ca 0.41 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 2dm3 s ILE 84 Cb -0.11 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.56 2dm3 s ILE 84 CO 0.28 -0.49 0.80 0.00 0.00 0.00 0.00 174.94 175.53 2dm3 s ALA 85 N 2.07 3.26 -0.27 9.38 0.00 0.29 -3.03 121.76 133.46 2dm3 s ALA 85 Ca 0.05 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 2dm3 s ALA 85 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2dm3 s ALA 85 CO -0.22 -2.17 0.09 0.99 0.00 0.00 0.00 175.76 174.45 2dm3 s THR 86 N 3.36 4.31 0.40 0.00 2.01 0.66 -0.43 115.64 125.94 2dm3 s THR 86 Ca 0.25 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.03 2dm3 s THR 86 Cb -0.15 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 2dm3 s THR 86 CO 0.17 0.25 0.03 0.21 -0.69 0.00 0.00 174.62 174.60 2dm3 s ASN 87 N 1.60 3.99 0.64 3.53 2.47 0.85 -1.35 114.94 126.67 2dm3 s ASN 87 Ca 0.06 -1.27 0.33 0.00 0.42 0.00 0.00 52.86 52.39 2dm3 s ASN 87 Cb -0.16 -0.42 1.79 0.00 -1.45 0.00 0.00 41.25 41.02 2dm3 s ASN 87 CO 0.04 -0.43 2.06 -0.09 -3.72 0.00 0.00 177.10 174.97 2dm3 h ARG 88 N 1.74 0.00 0.00 0.43 9.65 -1.87 -2.73 114.38 121.59 2dm3 h ARG 88 Ca -0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2dm3 h ARG 88 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2dm3 h ARG 88 CO 0.77 0.00 -0.20 0.00 2.80 0.00 0.00 179.97 183.34 2dm3 h ALA 89 N 1.61 0.00 -3.00 2.80 0.00 -1.87 -3.49 119.26 115.31 2dm3 h ALA 89 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dm3 h ALA 89 Cb 0.53 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dm3 h ALA 89 CO -0.00 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2dm3 n GLY 90 N 1.72 4.32 3.50 0.00 0.00 -1.03 -4.97 105.19 108.73 2dm3 n GLY 90 Ca -0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 2dm3 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm3 s GLN 91 N 4.02 0.85 0.05 1.61 -0.44 -1.26 -0.10 119.66 124.38 2dm3 s GLN 91 Ca 0.00 0.52 -0.01 0.00 -2.50 0.00 0.00 55.36 53.37 2dm3 s GLN 91 Cb 0.00 0.40 -0.03 0.00 -1.64 0.00 0.00 33.01 31.74 2dm3 s GLN 91 CO 0.00 -0.19 -0.02 -0.80 0.50 0.00 0.00 175.29 174.78 2dm3 s ASN 92 N -0.43 0.43 0.13 6.67 -0.87 0.42 -4.91 114.94 116.38 2dm3 s ASN 92 Ca -0.06 -0.90 -0.03 0.00 -1.57 0.00 0.00 52.86 50.30 2dm3 s ASN 92 Cb -0.03 0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 41.36 2dm3 s ASN 92 CO 0.05 -0.56 0.11 -0.55 -2.57 0.00 0.00 177.10 173.58 2dm3 s SER 93 N -2.68 0.25 -0.27 -1.22 0.15 -1.26 0.10 113.70 108.77 2dm3 s SER 93 Ca 0.03 -1.07 -0.23 0.00 0.70 0.00 0.00 55.95 55.38 2dm3 s SER 93 Cb 0.05 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 64.76 2dm3 s SER 93 CO -0.09 -0.75 0.76 0.72 1.20 0.00 0.00 173.24 175.08 2dm3 s PHE 94 N -4.00 -0.79 0.05 3.44 -0.12 -0.85 -4.99 117.98 110.71 2dm3 s PHE 94 Ca 0.19 1.85 0.04 0.00 -0.05 0.00 0.00 56.93 58.96 2dm3 s PHE 94 Cb 0.06 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2dm3 s PHE 94 CO -0.01 -0.38 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.63 2dm3 s SER 95 N 0.61 4.88 0.11 1.98 0.01 -1.26 -2.17 113.70 117.86 2dm3 s SER 95 Ca -0.02 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.09 2dm3 s SER 95 Cb -0.05 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 2dm3 s SER 95 CO -0.04 0.23 0.02 -1.48 0.41 0.00 0.00 173.24 172.38 2dm3 s LEU 96 N -1.87 2.05 -0.01 2.44 0.05 -1.17 -5.00 118.68 115.17 2dm3 s LEU 96 Ca 0.21 -1.14 0.07 0.00 0.05 0.00 0.00 54.13 53.33 2dm3 s LEU 96 Cb -0.11 0.20 -0.02 0.00 -2.05 0.00 0.00 46.19 44.20 2dm3 s LEU 96 CO 0.13 -0.66 -0.22 -0.70 -0.55 0.00 0.00 176.35 174.35 2dm3 s GLU 97 N -3.98 2.16 -0.04 1.48 2.12 -1.22 -3.12 118.70 116.11 2dm3 s GLU 97 Ca 0.19 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.61 2dm3 s GLU 97 Cb 0.07 -2.13 0.03 0.00 0.26 0.00 0.00 34.13 32.36 2dm3 s GLU 97 CO -0.01 0.57 0.04 -1.17 -0.54 0.00 0.00 175.26 174.15 2dm3 s LEU 98 N -0.82 0.48 -0.16 2.70 2.96 -1.18 -3.46 118.68 119.21 2dm3 s LEU 98 Ca 0.11 0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.00 2dm3 s LEU 98 Cb -0.10 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.40 2dm3 s LEU 98 CO 0.00 -0.20 0.07 -0.69 -1.32 0.00 0.00 176.35 174.21 2dm3 s VAL 99 N 1.80 4.89 -0.24 1.68 1.01 -0.87 -3.41 120.40 125.26 2dm3 s VAL 99 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2dm3 s VAL 99 Cb -0.12 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.12 2dm3 s VAL 99 CO -0.03 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.75 2dm3 s VAL 100 N 0.01 2.25 -0.24 2.92 1.01 -1.26 -1.84 120.40 123.24 2dm3 s VAL 100 Ca 0.06 -1.35 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 2dm3 s VAL 100 Cb -0.12 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2dm3 s VAL 100 CO 0.01 0.16 0.67 0.00 0.00 0.00 0.00 175.10 175.94 2dm3 s ALA 101 N 1.19 3.61 0.20 5.51 0.00 -1.09 -4.74 121.76 126.43 2dm3 s ALA 101 Ca -0.04 -0.35 -0.32 0.00 0.00 0.00 0.00 51.96 51.25 2dm3 s ALA 101 Cb -0.18 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 2dm3 s ALA 101 CO -0.07 -0.78 1.69 0.00 0.00 0.00 0.00 175.76 176.60 2dm3 n ALA 102 N 5.64 2.51 -0.35 0.00 0.00 -1.26 0.51 120.51 127.56 2dm3 n ALA 102 Ca 0.00 0.41 0.23 0.00 0.00 0.00 0.00 53.44 54.08 2dm3 n ALA 102 Cb 0.49 -2.49 0.48 0.00 0.00 0.00 0.00 19.45 17.93 2dm3 n ALA 102 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2dm3 h LYS 103 N 6.56 0.40 -1.74 0.00 2.10 -1.90 -3.41 116.57 118.58 2dm3 h LYS 103 Ca -0.43 -0.02 0.07 0.00 -2.00 0.00 0.00 60.65 58.26 2dm3 h LYS 103 Cb 1.21 -0.09 -0.24 0.00 -0.90 0.00 0.00 32.23 32.21 2dm3 h LYS 103 CO 0.94 0.26 0.23 -1.21 -2.00 0.00 0.00 179.45 177.67 2dm3 s GLU 104 N -5.59 0.53 0.02 0.07 2.02 -1.26 -5.08 118.70 109.41 2dm3 s GLU 104 Ca -0.09 0.90 -0.35 0.00 0.02 0.00 0.00 54.97 55.44 2dm3 s GLU 104 Cb 0.27 0.11 -0.14 0.00 0.10 0.00 0.00 34.13 34.47 2dm3 s GLU 104 CO 0.80 -0.11 1.62 -1.13 0.02 0.00 0.00 175.26 176.46 2dm3 n SER 105 N 3.94 2.76 0.00 -0.19 3.41 -1.26 -4.87 113.62 117.41 2dm3 n SER 105 Ca -0.19 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2dm3 n SER 105 Cb 0.58 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2dm3 n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm3 n GLY 106 N 3.56 0.58 0.22 5.00 0.00 -1.26 -4.95 105.19 108.33 2dm3 n GLY 106 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2dm3 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm3 h PRO 107 N 0.00 0.51 -6.02 1.61 0.13 -2.07 -3.46 132.00 122.70 2dm3 h PRO 107 Ca 0.00 -0.27 -0.66 0.00 -0.87 0.00 0.00 66.00 64.20 2dm3 h PRO 107 Cb 0.00 0.01 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2dm3 h PRO 107 CO 0.00 0.84 -0.55 0.43 -0.23 0.00 0.00 178.00 178.49 2dm3 n SER 108 N -4.02 -1.34 -4.16 1.44 7.64 -1.26 -4.92 113.62 107.00 2dm3 n SER 108 Ca -0.02 1.09 -0.36 0.00 1.01 0.00 0.00 58.87 60.59 2dm3 n SER 108 Cb 0.52 -0.96 -0.12 0.00 -1.01 0.00 0.00 64.21 62.65 2dm3 n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dm3 s SER 109 N -0.98 5.22 0.00 6.43 0.15 -1.26 -5.11 113.70 118.15 2dm3 s SER 109 Ca 0.63 -1.72 0.02 0.00 0.70 0.00 0.00 55.95 55.58 2dm3 s SER 109 Cb -0.88 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 2dm3 s SER 109 CO 0.57 -0.46 0.56 0.61 1.20 0.00 0.00 173.24 175.72